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|
data_3JQH
#
_entry.id 3JQH
#
_audit_conform.dict_name mmcif_pdbx.dic
_audit_conform.dict_version 4.007
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
#
loop_
_database_2.database_id
_database_2.database_code
PDB 3JQH
RCSB RCSB055030
#
loop_
_database_PDB_rev.num
_database_PDB_rev.date
_database_PDB_rev.date_original
_database_PDB_rev.status
_database_PDB_rev.replaces
_database_PDB_rev.mod_type
1 2009-11-10 2009-09-06 ? 3JQH 0
2 2009-12-08 ? ? 3JQH 1
#
_database_PDB_rev_record.rev_num 2
_database_PDB_rev_record.type JRNL
_database_PDB_rev_record.details ?
#
_pdbx_database_status.status_code REL
_pdbx_database_status.entry_id 3JQH
_pdbx_database_status.deposit_site RCSB
_pdbx_database_status.process_site RCSB
_pdbx_database_status.status_code_sf REL
_pdbx_database_status.status_code_mr ?
_pdbx_database_status.SG_entry ?
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
'Feinberg, H.' 1
'Tso, C.K.W.' 2
'Taylor, M.E.' 3
'Drickamer, K.' 4
'Weis, W.I.' 5
#
_citation.id primary
_citation.title 'Segmented helical structure of the neck region of the glycan-binding receptor DC-SIGNR.'
_citation.journal_abbrev J.Mol.Biol.
_citation.journal_volume 394
_citation.page_first 613
_citation.page_last 620
_citation.year 2009
_citation.journal_id_ASTM JMOBAK
_citation.country UK
_citation.journal_id_ISSN 0022-2836
_citation.journal_id_CSD 0070
_citation.book_publisher ?
_citation.pdbx_database_id_PubMed 19835887
_citation.pdbx_database_id_DOI 10.1016/j.jmb.2009.10.006
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary 'Feinberg, H.' 1
primary 'Tso, C.K.' 2
primary 'Taylor, M.E.' 3
primary 'Drickamer, K.' 4
primary 'Weis, W.I.' 5
#
_cell.entry_id 3JQH
_cell.length_a 34.17
_cell.length_b 34.17
_cell.length_c 36.72
_cell.angle_alpha 90.00
_cell.angle_beta 90.00
_cell.angle_gamma 90.00
_cell.Z_PDB 8
_cell.pdbx_unique_axis ?
_cell.length_a_esd ?
_cell.length_b_esd ?
_cell.length_c_esd ?
_cell.angle_alpha_esd ?
_cell.angle_beta_esd ?
_cell.angle_gamma_esd ?
#
_symmetry.entry_id 3JQH
_symmetry.space_group_name_H-M 'P 4 21 2'
_symmetry.pdbx_full_space_group_name_H-M ?
_symmetry.cell_setting ?
_symmetry.Int_Tables_number ?
_symmetry.space_group_name_Hall ?
#
loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.details
_entity.pdbx_mutation
_entity.pdbx_fragment
_entity.pdbx_ec
1 polymer man 'C-type lectin domain family 4 member M' 19139.066 1 ? ? 'UNP residues 101-264, neck domain' ?
2 water nat water 18.015 21 ? ? ? ?
#
loop_
_entity_keywords.entity_id
_entity_keywords.text
1 ?
2 ?
#
loop_
_entity_name_com.entity_id
_entity_name_com.name
1
;CD209 antigen-like protein 1, Dendritic cell-specific ICAM-3-grabbing non-integrin 2, DC-SIGN2, DC-SIGN-related protein, DC-SIGNR, Liver/lymph node-specific ICAM-3-grabbing non-integrin, L-SIGN
;
2 ?
#
_entity_poly.entity_id 1
_entity_poly.type 'polypeptide(L)'
_entity_poly.nstd_linkage no
_entity_poly.nstd_monomer no
_entity_poly.pdbx_seq_one_letter_code
;GELPEKSKLQEIYQELTRLKAAVGELPEKSKLQEIYQELTRLKAAVGELPEKSKLQEIYQELTRLKAAVGELPEKSKLQE
IYQELTRLKAAVGELPEKSKLQEIYQELTELKAAVGELPEKSKLQEIYQELTQLKAAVGELPDQSKQQQIYQELTDLKTA
FERLGHH
;
_entity_poly.pdbx_seq_one_letter_code_can
;GELPEKSKLQEIYQELTRLKAAVGELPEKSKLQEIYQELTRLKAAVGELPEKSKLQEIYQELTRLKAAVGELPEKSKLQE
IYQELTRLKAAVGELPEKSKLQEIYQELTELKAAVGELPEKSKLQEIYQELTQLKAAVGELPDQSKQQQIYQELTDLKTA
FERLGHH
;
_entity_poly.pdbx_strand_id A
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 GLY n
1 2 GLU n
1 3 LEU n
1 4 PRO y
1 4 SER y
1 5 GLU n
1 6 LYS n
1 7 SER n
1 8 LYS n
1 9 LEU n
1 10 GLN n
1 11 GLU n
1 12 ILE n
1 13 TYR n
1 14 GLN n
1 15 GLU n
1 16 LEU n
1 17 THR n
1 18 ARG y
1 18 GLN y
1 18 GLU y
1 19 LEU n
1 20 LYS n
1 21 ALA n
1 22 ALA n
1 23 VAL n
1 24 GLY n
1 25 GLU n
1 26 LEU n
1 27 PRO n
1 28 GLU n
1 29 LYS n
1 30 SER n
1 31 LYS n
1 32 LEU n
1 33 GLN n
1 34 GLU n
1 35 ILE n
1 36 TYR n
1 37 GLN n
1 38 GLU n
1 39 LEU n
1 40 THR n
1 41 ARG n
1 42 LEU n
1 43 LYS n
1 44 ALA n
1 45 ALA n
1 46 VAL n
1 47 GLY n
1 48 GLU n
1 49 LEU n
1 50 PRO n
1 51 GLU n
1 52 LYS n
1 53 SER n
1 54 LYS n
1 55 LEU n
1 56 GLN n
1 57 GLU n
1 58 ILE n
1 59 TYR n
1 60 GLN n
1 61 GLU n
1 62 LEU n
1 63 THR n
1 64 ARG n
1 65 LEU n
1 66 LYS n
1 67 ALA n
1 68 ALA n
1 69 VAL n
1 70 GLY n
1 71 GLU n
1 72 LEU n
1 73 PRO n
1 74 GLU n
1 75 LYS n
1 76 SER n
1 77 LYS n
1 78 LEU n
1 79 GLN n
1 80 GLU n
1 81 ILE n
1 82 TYR n
1 83 GLN n
1 84 GLU n
1 85 LEU n
1 86 THR n
1 87 ARG n
1 88 LEU n
1 89 LYS n
1 90 ALA n
1 91 ALA n
1 92 VAL n
1 93 GLY n
1 94 GLU n
1 95 LEU n
1 96 PRO n
1 97 GLU n
1 98 LYS n
1 99 SER n
1 100 LYS n
1 101 LEU n
1 102 GLN n
1 103 GLU n
1 104 ILE n
1 105 TYR n
1 106 GLN n
1 107 GLU n
1 108 LEU n
1 109 THR n
1 110 GLU n
1 111 LEU n
1 112 LYS n
1 113 ALA n
1 114 ALA n
1 115 VAL n
1 116 GLY n
1 117 GLU n
1 118 LEU n
1 119 PRO n
1 120 GLU n
1 121 LYS n
1 122 SER n
1 123 LYS n
1 124 LEU n
1 125 GLN n
1 126 GLU n
1 127 ILE n
1 128 TYR n
1 129 GLN n
1 130 GLU n
1 131 LEU n
1 132 THR n
1 133 GLN n
1 134 LEU n
1 135 LYS n
1 136 ALA n
1 137 ALA n
1 138 VAL n
1 139 GLY n
1 140 GLU n
1 141 LEU n
1 142 PRO n
1 143 ASP n
1 144 GLN n
1 145 SER n
1 146 LYS n
1 147 GLN n
1 148 GLN n
1 149 GLN n
1 150 ILE n
1 151 TYR n
1 152 GLN n
1 153 GLU n
1 154 LEU n
1 155 THR n
1 156 ASP n
1 157 LEU n
1 158 LYS n
1 159 THR n
1 160 ALA n
1 161 PHE n
1 162 GLU n
1 163 ARG n
1 164 LEU n
1 165 GLY n
1 166 HIS n
1 167 HIS n
#
_entity_src_gen.entity_id 1
_entity_src_gen.gene_src_common_name human
_entity_src_gen.gene_src_genus ?
_entity_src_gen.pdbx_gene_src_gene 'CLEC4M, CD209L, CD209L1, CD299'
_entity_src_gen.gene_src_species ?
_entity_src_gen.gene_src_strain ?
_entity_src_gen.gene_src_tissue ?
_entity_src_gen.gene_src_tissue_fraction ?
_entity_src_gen.gene_src_details ?
_entity_src_gen.pdbx_gene_src_fragment ?
_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens'
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606
_entity_src_gen.pdbx_gene_src_variant ?
_entity_src_gen.pdbx_gene_src_cell_line ?
_entity_src_gen.pdbx_gene_src_atcc ?
_entity_src_gen.pdbx_gene_src_organ ?
_entity_src_gen.pdbx_gene_src_organelle ?
_entity_src_gen.pdbx_gene_src_cell ?
_entity_src_gen.pdbx_gene_src_cellular_location ?
_entity_src_gen.host_org_common_name ?
_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli'
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562
_entity_src_gen.host_org_genus ?
_entity_src_gen.pdbx_host_org_gene ?
_entity_src_gen.pdbx_host_org_organ ?
_entity_src_gen.host_org_species ?
_entity_src_gen.pdbx_host_org_tissue ?
_entity_src_gen.pdbx_host_org_tissue_fraction ?
_entity_src_gen.pdbx_host_org_strain BL21/DE3
_entity_src_gen.pdbx_host_org_variant ?
_entity_src_gen.pdbx_host_org_cell_line ?
_entity_src_gen.pdbx_host_org_atcc ?
_entity_src_gen.pdbx_host_org_culture_collection ?
_entity_src_gen.pdbx_host_org_cell ?
_entity_src_gen.pdbx_host_org_organelle ?
_entity_src_gen.pdbx_host_org_cellular_location ?
_entity_src_gen.pdbx_host_org_vector_type plasmid
_entity_src_gen.pdbx_host_org_vector ?
_entity_src_gen.plasmid_name pT5T
_entity_src_gen.plasmid_details ?
_entity_src_gen.pdbx_description ?
#
_struct_ref.id 1
_struct_ref.db_name UNP
_struct_ref.db_code CLC4M_HUMAN
_struct_ref.pdbx_db_accession Q9H2X3
_struct_ref.entity_id 1
_struct_ref.pdbx_seq_one_letter_code
;GELSEKSKLQEIYQELTQLKAAVGELPEKSKLQEIYQELTRLKAAVGELPEKSKLQEIY
QELTRLKAAVGELPEKSKLQEIYQELTRLKAAVGELPEKSKLQEIYQELTELKAAVGELP
EKSKLQEIYQELTQLKAAVGELPDQSKQQQIYQELTDLKTAFERL
;
_struct_ref.pdbx_align_begin 101
_struct_ref.biol_id .
#
_struct_ref_seq.align_id 1
_struct_ref_seq.ref_id 1
_struct_ref_seq.pdbx_PDB_id_code 3JQH
_struct_ref_seq.pdbx_strand_id A
_struct_ref_seq.seq_align_beg 1
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
_struct_ref_seq.seq_align_end 164
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
_struct_ref_seq.pdbx_db_accession Q9H2X3
_struct_ref_seq.db_align_beg 101
_struct_ref_seq.db_align_end 264
_struct_ref_seq.pdbx_auth_seq_align_beg -2
_struct_ref_seq.pdbx_auth_seq_align_end 161
#
loop_
_struct_ref_seq_dif.align_id
_struct_ref_seq_dif.pdbx_pdb_id_code
_struct_ref_seq_dif.mon_id
_struct_ref_seq_dif.pdbx_pdb_strand_id
_struct_ref_seq_dif.seq_num
_struct_ref_seq_dif.pdbx_pdb_ins_code
_struct_ref_seq_dif.pdbx_seq_db_name
_struct_ref_seq_dif.pdbx_seq_db_accession_code
_struct_ref_seq_dif.db_mon_id
_struct_ref_seq_dif.pdbx_seq_db_seq_num
_struct_ref_seq_dif.details
_struct_ref_seq_dif.pdbx_auth_seq_num
_struct_ref_seq_dif.pdbx_ordinal
1 3JQH GLY A 165 ? UNP Q9H2X3 ? ? INSERTION 162 1
1 3JQH HIS A 166 ? UNP Q9H2X3 ? ? INSERTION 163 2
1 3JQH HIS A 167 ? UNP Q9H2X3 ? ? INSERTION 164 3
#
loop_
_chem_comp.id
_chem_comp.type
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_synonyms
_chem_comp.formula
_chem_comp.formula_weight
PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.132
SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.130
LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.197
LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.174
GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146
ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.174
TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191
THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.120
ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.210
ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.094
VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.147
GLY 'PEPTIDE LINKING' y GLYCINE ? 'C2 H5 N O2' 75.067
HOH NON-POLYMER . WATER ? 'H2 O' 18.015
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.104
PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.191
HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.164
#
_exptl.entry_id 3JQH
_exptl.method 'X-RAY DIFFRACTION'
_exptl.crystals_number 1
#
_exptl_crystal.id 1
_exptl_crystal.density_meas ?
_exptl_crystal.density_Matthews ?
_exptl_crystal.density_percent_sol ?
_exptl_crystal.description ?
_exptl_crystal.F_000 ?
_exptl_crystal.preparation ?
#
_exptl_crystal_grow.crystal_id 1
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
_exptl_crystal_grow.temp 291
_exptl_crystal_grow.temp_details ?
_exptl_crystal_grow.pH 6.5
_exptl_crystal_grow.pdbx_details
;Protein solution: 2.8 mg/ml protein, 10 mM Tris-Cl, pH 8.0, and 25 mM NaCl.
Reservoir solution: 9% polyethylene glycol 6000, 1.25 M NaCl and 0.1 Bis-Tris, pH 6.5., VAPOR DIFFUSION, HANGING DROP, temperature 291K
;
_exptl_crystal_grow.pdbx_pH_range ?
#
_diffrn.id 1
_diffrn.ambient_temp 100
_diffrn.ambient_temp_details ?
_diffrn.crystal_id 1
#
_diffrn_detector.diffrn_id 1
_diffrn_detector.detector CCD
_diffrn_detector.type 'MARMOSAIC 325 mm CCD'
_diffrn_detector.pdbx_collection_date 2009-02-04
_diffrn_detector.details ?
#
_diffrn_radiation.diffrn_id 1
_diffrn_radiation.wavelength_id 1
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
_diffrn_radiation.monochromator ?
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
_diffrn_radiation.pdbx_scattering_type x-ray
#
_diffrn_radiation_wavelength.id 1
_diffrn_radiation_wavelength.wavelength 0.97945
_diffrn_radiation_wavelength.wt 1.0
#
_diffrn_source.diffrn_id 1
_diffrn_source.source SYNCHROTRON
_diffrn_source.type 'SSRL BEAMLINE BL11-1'
_diffrn_source.pdbx_synchrotron_site SSRL
_diffrn_source.pdbx_synchrotron_beamline BL11-1
_diffrn_source.pdbx_wavelength ?
_diffrn_source.pdbx_wavelength_list 0.97945
#
_reflns.entry_id 3JQH
_reflns.observed_criterion_sigma_I ?
_reflns.observed_criterion_sigma_F ?
_reflns.d_resolution_low 36.719
_reflns.d_resolution_high 2.20
_reflns.number_obs 1283
_reflns.number_all ?
_reflns.percent_possible_obs 99.9
_reflns.pdbx_Rmerge_I_obs 0.061
_reflns.pdbx_Rsym_value ?
_reflns.pdbx_netI_over_sigmaI ?
_reflns.B_iso_Wilson_estimate ?
_reflns.pdbx_redundancy 14.7
_reflns.R_free_details ?
_reflns.limit_h_max ?
_reflns.limit_h_min ?
_reflns.limit_k_max ?
_reflns.limit_k_min ?
_reflns.limit_l_max ?
_reflns.limit_l_min ?
_reflns.observed_criterion_F_max ?
_reflns.observed_criterion_F_min ?
_reflns.pdbx_chi_squared ?
_reflns.pdbx_scaling_rejects ?
_reflns.pdbx_ordinal 1
_reflns.pdbx_diffrn_id 1
#
_reflns_shell.d_res_high 2.2
_reflns_shell.d_res_low 2.32
_reflns_shell.percent_possible_all 100
_reflns_shell.Rmerge_I_obs 0.126
_reflns_shell.pdbx_Rsym_value ?
_reflns_shell.meanI_over_sigI_obs ?
_reflns_shell.pdbx_redundancy ?
_reflns_shell.percent_possible_obs ?
_reflns_shell.number_unique_all ?
_reflns_shell.number_measured_all ?
_reflns_shell.number_measured_obs ?
_reflns_shell.number_unique_obs ?
_reflns_shell.pdbx_chi_squared ?
_reflns_shell.pdbx_ordinal 1
_reflns_shell.pdbx_diffrn_id 1
#
_computing.entry_id 3JQH
_computing.pdbx_data_reduction_ii MOSFLM
_computing.pdbx_data_reduction_ds SCALA
_computing.data_collection 'blue ice'
_computing.structure_solution 'PHENIX and CNS'
_computing.structure_refinement 'PHENIX (phenix.refine)'
_computing.pdbx_structure_refinement_method ?
#
_refine.entry_id 3JQH
_refine.ls_number_reflns_obs 1272
_refine.ls_number_reflns_all ?
_refine.pdbx_ls_sigma_I ?
_refine.pdbx_ls_sigma_F 0
_refine.pdbx_data_cutoff_high_absF ?
_refine.pdbx_data_cutoff_low_absF ?
_refine.pdbx_data_cutoff_high_rms_absF ?
_refine.ls_d_res_low 36.719
_refine.ls_d_res_high 2.201
_refine.ls_percent_reflns_obs 99.45
_refine.ls_R_factor_obs 0.1950
_refine.ls_R_factor_all ?
_refine.ls_R_factor_R_work 0.1936
_refine.ls_R_factor_R_free 0.2164
_refine.ls_R_factor_R_free_error ?
_refine.ls_R_factor_R_free_error_details ?
_refine.ls_percent_reflns_R_free 5.03
_refine.ls_number_reflns_R_free 64
_refine.ls_number_parameters ?
_refine.ls_number_restraints ?
_refine.occupancy_min ?
_refine.occupancy_max ?
_refine.correlation_coeff_Fo_to_Fc ?
_refine.correlation_coeff_Fo_to_Fc_free ?
_refine.B_iso_mean ?
_refine.aniso_B[1][1] ?
_refine.aniso_B[2][2] ?
_refine.aniso_B[3][3] ?
_refine.aniso_B[1][2] ?
_refine.aniso_B[1][3] ?
_refine.aniso_B[2][3] ?
_refine.solvent_model_details 'FLAT BULK SOLVENT MODEL'
_refine.solvent_model_param_ksol 0.385
_refine.solvent_model_param_bsol 124.697
_refine.pdbx_solvent_vdw_probe_radii 1.11
_refine.pdbx_solvent_ion_probe_radii ?
_refine.pdbx_solvent_shrinkage_radii 0.90
_refine.pdbx_ls_cross_valid_method ?
_refine.details ?
_refine.pdbx_starting_model ?
_refine.pdbx_method_to_determine_struct MAD
_refine.pdbx_isotropic_thermal_model ?
_refine.pdbx_stereochemistry_target_values ML
_refine.pdbx_stereochem_target_val_spec_case ?
_refine.pdbx_R_Free_selection_details ?
_refine.pdbx_overall_ESU_R ?
_refine.pdbx_overall_ESU_R_Free ?
_refine.overall_SU_ML 0.53
_refine.overall_SU_B ?
_refine.ls_redundancy_reflns_obs ?
_refine.B_iso_min ?
_refine.B_iso_max ?
_refine.overall_SU_R_Cruickshank_DPI ?
_refine.overall_SU_R_free ?
_refine.ls_wR_factor_R_free ?
_refine.ls_wR_factor_R_work ?
_refine.overall_FOM_free_R_set ?
_refine.overall_FOM_work_R_set ?
_refine.pdbx_overall_phase_error ?
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine.pdbx_diffrn_id 1
#
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
_refine_hist.cycle_id LAST
_refine_hist.pdbx_number_atoms_protein 209
_refine_hist.pdbx_number_atoms_nucleic_acid 0
_refine_hist.pdbx_number_atoms_ligand 0
_refine_hist.number_atoms_solvent 21
_refine_hist.number_atoms_total 230
_refine_hist.d_res_high 2.201
_refine_hist.d_res_low 36.719
#
loop_
_refine_ls_restr.type
_refine_ls_restr.dev_ideal
_refine_ls_restr.dev_ideal_target
_refine_ls_restr.weight
_refine_ls_restr.number
_refine_ls_restr.pdbx_refine_id
f_bond_d 0.007 ? ? 223 'X-RAY DIFFRACTION'
f_angle_d 0.957 ? ? 298 'X-RAY DIFFRACTION'
f_dihedral_angle_d 14.391 ? ? 94 'X-RAY DIFFRACTION'
f_chiral_restr 0.042 ? ? 33 'X-RAY DIFFRACTION'
f_plane_restr 0.003 ? ? 39 'X-RAY DIFFRACTION'
#
_refine_ls_shell.pdbx_total_number_of_bins_used ?
_refine_ls_shell.d_res_high 2.201
_refine_ls_shell.d_res_low 2.32
_refine_ls_shell.number_reflns_R_work 1208
_refine_ls_shell.R_factor_R_work ?
_refine_ls_shell.percent_reflns_obs ?
_refine_ls_shell.R_factor_R_free ?
_refine_ls_shell.R_factor_R_free_error ?
_refine_ls_shell.percent_reflns_R_free ?
_refine_ls_shell.number_reflns_R_free ?
_refine_ls_shell.number_reflns_all ?
_refine_ls_shell.R_factor_all ?
_refine_ls_shell.number_reflns_obs ?
_refine_ls_shell.redundancy_reflns_obs ?
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
#
_struct.entry_id 3JQH
_struct.title 'Structure of the neck region of the glycan-binding receptor DC-SIGNR'
_struct.pdbx_descriptor 'C-type lectin domain family 4 member M'
_struct.pdbx_model_details ?
_struct.pdbx_CASP_flag ?
_struct.pdbx_model_type_details ?
#
_struct_keywords.entry_id 3JQH
_struct_keywords.pdbx_keywords 'SUGAR BINDING PROTEIN'
_struct_keywords.text
;DC-SIGNR, four-helix bundle, oligomerization domain, Cell membrane, Disulfide bond, Endocytosis, Glycoprotein, Host-virus interaction, Immune response, Lectin, Mannose-binding, Membrane, Metal-binding, Receptor, Secreted, Signal-anchor, Transmembrane, SUGAR BINDING PROTEIN
;
#
loop_
_struct_asym.id
_struct_asym.pdbx_blank_PDB_chainid_flag
_struct_asym.pdbx_modified
_struct_asym.entity_id
_struct_asym.details
A N N 1 ?
B N N 2 ?
#
_struct_biol.id 1
_struct_biol.details
;The biological assembly is a four helix bundle, extending 7 repeats along c axis. Symmetry operations for 6 repeats are shown while last repeat is disordered.
;
#
_struct_conf.conf_type_id HELX_P
_struct_conf.id HELX_P1
_struct_conf.pdbx_PDB_helix_id 1
_struct_conf.beg_label_comp_id GLU
_struct_conf.beg_label_asym_id A
_struct_conf.beg_label_seq_id 5
_struct_conf.pdbx_beg_PDB_ins_code ?
_struct_conf.end_label_comp_id GLY
_struct_conf.end_label_asym_id A
_struct_conf.end_label_seq_id 24
_struct_conf.pdbx_end_PDB_ins_code ?
_struct_conf.beg_auth_comp_id GLU
_struct_conf.beg_auth_asym_id A
_struct_conf.beg_auth_seq_id 2
_struct_conf.end_auth_comp_id GLY
_struct_conf.end_auth_asym_id A
_struct_conf.end_auth_seq_id 21
_struct_conf.pdbx_PDB_helix_class 1
_struct_conf.details ?
_struct_conf.pdbx_PDB_helix_length 20
#
_struct_conf_type.id HELX_P
_struct_conf_type.criteria ?
_struct_conf_type.reference ?
#
_database_PDB_matrix.entry_id 3JQH
_database_PDB_matrix.origx[1][1] 1.000000
_database_PDB_matrix.origx[1][2] 0.000000
_database_PDB_matrix.origx[1][3] 0.000000
_database_PDB_matrix.origx[2][1] 0.000000
_database_PDB_matrix.origx[2][2] 1.000000
_database_PDB_matrix.origx[2][3] 0.000000
_database_PDB_matrix.origx[3][1] 0.000000
_database_PDB_matrix.origx[3][2] 0.000000
_database_PDB_matrix.origx[3][3] 1.000000
_database_PDB_matrix.origx_vector[1] 0.00000
_database_PDB_matrix.origx_vector[2] 0.00000
_database_PDB_matrix.origx_vector[3] 0.00000
#
_atom_sites.entry_id 3JQH
_atom_sites.Cartn_transform_axes ?
_atom_sites.fract_transf_matrix[1][1] 0.029267
_atom_sites.fract_transf_matrix[1][2] 0.000000
_atom_sites.fract_transf_matrix[1][3] 0.000000
_atom_sites.fract_transf_matrix[2][1] 0.000000
_atom_sites.fract_transf_matrix[2][2] 0.029267
_atom_sites.fract_transf_matrix[2][3] 0.000000
_atom_sites.fract_transf_matrix[3][1] 0.000000
_atom_sites.fract_transf_matrix[3][2] 0.000000
_atom_sites.fract_transf_matrix[3][3] 0.027234
_atom_sites.fract_transf_vector[1] 0.00000
_atom_sites.fract_transf_vector[2] 0.00000
_atom_sites.fract_transf_vector[3] 0.00000
#
loop_
_atom_type.symbol
N
C
O
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.Cartn_x_esd
_atom_site.Cartn_y_esd
_atom_site.Cartn_z_esd
_atom_site.occupancy_esd
_atom_site.B_iso_or_equiv_esd
_atom_site.pdbx_formal_charge
_atom_site.auth_seq_id
_atom_site.auth_comp_id
_atom_site.auth_asym_id
_atom_site.auth_atom_id
_atom_site.pdbx_PDB_model_num
ATOM 1 N N A PRO A 1 4 ? 3.278 21.202 20.087 0.83 56.23 ? ? ? ? ? ? 1 PRO A N 1
ATOM 2 C CA A PRO A 1 4 ? 3.746 20.507 21.289 0.83 65.19 ? ? ? ? ? ? 1 PRO A CA 1
ATOM 3 C C A PRO A 1 4 ? 4.699 19.352 20.954 0.83 68.81 ? ? ? ? ? ? 1 PRO A C 1
ATOM 4 O O A PRO A 1 4 ? 4.356 18.523 20.105 0.83 62.06 ? ? ? ? ? ? 1 PRO A O 1
ATOM 5 C CB A PRO A 1 4 ? 2.447 19.968 21.886 0.83 60.62 ? ? ? ? ? ? 1 PRO A CB 1
ATOM 6 C CG A PRO A 1 4 ? 1.419 20.950 21.455 0.83 52.80 ? ? ? ? ? ? 1 PRO A CG 1
ATOM 7 C CD A PRO A 1 4 ? 1.815 21.380 20.088 0.83 51.84 ? ? ? ? ? ? 1 PRO A CD 1
ATOM 8 N N B SER A 1 4 ? 3.302 21.148 20.087 0.17 56.57 ? ? ? ? ? ? 1 SER A N 1
ATOM 9 C CA B SER A 1 4 ? 3.772 20.496 21.302 0.17 64.89 ? ? ? ? ? ? 1 SER A CA 1
ATOM 10 C C B SER A 1 4 ? 4.693 19.323 20.978 0.17 68.25 ? ? ? ? ? ? 1 SER A C 1
ATOM 11 O O B SER A 1 4 ? 4.352 18.458 20.170 0.17 62.08 ? ? ? ? ? ? 1 SER A O 1
ATOM 12 C CB B SER A 1 4 ? 2.583 20.022 22.135 0.17 60.79 ? ? ? ? ? ? 1 SER A CB 1
ATOM 13 O OG B SER A 1 4 ? 1.653 21.073 22.323 0.17 58.19 ? ? ? ? ? ? 1 SER A OG 1
ATOM 14 N N . GLU A 1 5 ? 5.863 19.303 21.612 1.00 64.84 ? ? ? ? ? ? 2 GLU A N 1
ATOM 15 C CA . GLU A 1 5 ? 6.861 18.244 21.377 1.00 60.65 ? ? ? ? ? ? 2 GLU A CA 1
ATOM 16 C C . GLU A 1 5 ? 6.977 17.223 22.503 1.00 61.35 ? ? ? ? ? ? 2 GLU A C 1
ATOM 17 O O . GLU A 1 5 ? 6.607 17.489 23.657 1.00 61.06 ? ? ? ? ? ? 2 GLU A O 1
ATOM 18 C CB . GLU A 1 5 ? 8.246 18.840 21.124 1.00 65.78 ? ? ? ? ? ? 2 GLU A CB 1
ATOM 19 C CG . GLU A 1 5 ? 8.317 19.750 19.918 1.00 87.19 ? ? ? ? ? ? 2 GLU A CG 1
ATOM 20 C CD . GLU A 1 5 ? 9.585 20.581 19.894 1.00 97.22 ? ? ? ? ? ? 2 GLU A CD 1
ATOM 21 O OE1 . GLU A 1 5 ? 10.406 20.436 20.826 1.00 106.51 ? ? ? ? ? ? 2 GLU A OE1 1
ATOM 22 O OE2 . GLU A 1 5 ? 9.756 21.381 18.947 1.00 121.60 ? ? ? ? ? ? 2 GLU A OE2 1
ATOM 23 N N . LYS A 1 6 ? 7.510 16.054 22.150 1.00 60.70 ? ? ? ? ? ? 3 LYS A N 1
ATOM 24 C CA A LYS A 1 6 ? 7.680 14.952 23.094 0.50 60.74 ? ? ? ? ? ? 3 LYS A CA 1
ATOM 25 C CA B LYS A 1 6 ? 7.674 14.952 23.095 0.50 60.74 ? ? ? ? ? ? 3 LYS A CA 1
ATOM 26 C C . LYS A 1 6 ? 8.383 15.368 24.391 1.00 66.77 ? ? ? ? ? ? 3 LYS A C 1
ATOM 27 O O . LYS A 1 6 ? 7.975 14.975 25.493 1.00 59.94 ? ? ? ? ? ? 3 LYS A O 1
ATOM 28 C CB A LYS A 1 6 ? 8.460 13.807 22.435 0.50 58.21 ? ? ? ? ? ? 3 LYS A CB 1
ATOM 29 C CB B LYS A 1 6 ? 8.440 13.800 22.434 0.50 58.22 ? ? ? ? ? ? 3 LYS A CB 1
ATOM 30 C CG A LYS A 1 6 ? 7.594 12.729 21.806 0.50 60.30 ? ? ? ? ? ? 3 LYS A CG 1
ATOM 31 C CG B LYS A 1 6 ? 7.602 12.930 21.510 0.50 60.56 ? ? ? ? ? ? 3 LYS A CG 1
ATOM 32 C CD A LYS A 1 6 ? 8.403 11.460 21.582 0.50 56.61 ? ? ? ? ? ? 3 LYS A CD 1
ATOM 33 C CD B LYS A 1 6 ? 8.400 11.726 21.036 0.50 57.10 ? ? ? ? ? ? 3 LYS A CD 1
ATOM 34 C CE A LYS A 1 6 ? 7.514 10.241 21.575 0.50 50.44 ? ? ? ? ? ? 3 LYS A CE 1
ATOM 35 C CE B LYS A 1 6 ? 7.503 10.670 20.433 0.50 54.84 ? ? ? ? ? ? 3 LYS A CE 1
ATOM 36 N NZ A LYS A 1 6 ? 8.308 8.989 21.730 0.50 63.46 ? ? ? ? ? ? 3 LYS A NZ 1
ATOM 37 N NZ B LYS A 1 6 ? 8.293 9.541 19.864 0.50 65.48 ? ? ? ? ? ? 3 LYS A NZ 1
ATOM 38 N N . SER A 1 7 ? 9.454 16.151 24.262 1.00 58.50 ? ? ? ? ? ? 4 SER A N 1
ATOM 39 C CA . SER A 1 7 ? 10.239 16.545 25.423 1.00 62.03 ? ? ? ? ? ? 4 SER A CA 1
ATOM 40 C C . SER A 1 7 ? 9.422 17.346 26.443 1.00 66.48 ? ? ? ? ? ? 4 SER A C 1
ATOM 41 O O . SER A 1 7 ? 9.797 17.434 27.611 1.00 61.61 ? ? ? ? ? ? 4 SER A O 1
ATOM 42 C CB . SER A 1 7 ? 11.447 17.350 24.976 1.00 62.28 ? ? ? ? ? ? 4 SER A CB 1
ATOM 43 O OG . SER A 1 7 ? 11.031 18.436 24.170 1.00 72.21 ? ? ? ? ? ? 4 SER A OG 1
ATOM 44 N N . LYS A 1 8 ? 8.304 17.922 26.011 1.00 64.85 ? ? ? ? ? ? 5 LYS A N 1
ATOM 45 C CA . LYS A 1 8 ? 7.491 18.722 26.918 1.00 60.28 ? ? ? ? ? ? 5 LYS A CA 1
ATOM 46 C C . LYS A 1 8 ? 6.706 17.819 27.841 1.00 62.52 ? ? ? ? ? ? 5 LYS A C 1
ATOM 47 O O . LYS A 1 8 ? 6.696 18.022 29.055 1.00 59.76 ? ? ? ? ? ? 5 LYS A O 1
ATOM 48 C CB . LYS A 1 8 ? 6.524 19.624 26.155 1.00 66.85 ? ? ? ? ? ? 5 LYS A CB 1
ATOM 49 C CG . LYS A 1 8 ? 5.839 20.641 27.052 1.00 57.88 ? ? ? ? ? ? 5 LYS A CG 1
ATOM 50 C CD . LYS A 1 8 ? 6.895 21.530 27.687 1.00 65.85 ? ? ? ? ? ? 5 LYS A CD 1
ATOM 51 C CE . LYS A 1 8 ? 6.341 22.346 28.833 1.00 73.18 ? ? ? ? ? ? 5 LYS A CE 1
ATOM 52 N NZ . LYS A 1 8 ? 7.212 23.539 29.081 1.00 89.21 ? ? ? ? ? ? 5 LYS A NZ 1
ATOM 53 N N . LEU A 1 9 ? 6.044 16.820 27.265 1.00 63.55 ? ? ? ? ? ? 6 LEU A N 1
ATOM 54 C CA . LEU A 1 9 ? 5.269 15.878 28.065 1.00 56.73 ? ? ? ? ? ? 6 LEU A CA 1
ATOM 55 C C . LEU A 1 9 ? 6.155 15.072 29.023 1.00 64.90 ? ? ? ? ? ? 6 LEU A C 1
ATOM 56 O O . LEU A 1 9 ? 5.717 14.691 30.113 1.00 65.09 ? ? ? ? ? ? 6 LEU A O 1
ATOM 57 C CB . LEU A 1 9 ? 4.481 14.938 27.163 1.00 57.89 ? ? ? ? ? ? 6 LEU A CB 1
ATOM 58 C CG . LEU A 1 9 ? 3.361 15.552 26.339 1.00 58.03 ? ? ? ? ? ? 6 LEU A CG 1
ATOM 59 C CD1 . LEU A 1 9 ? 2.528 14.425 25.765 1.00 72.92 ? ? ? ? ? ? 6 LEU A CD1 1
ATOM 60 C CD2 . LEU A 1 9 ? 2.507 16.438 27.216 1.00 75.05 ? ? ? ? ? ? 6 LEU A CD2 1
ATOM 61 N N . GLN A 1 10 ? 7.396 14.807 28.616 1.00 59.62 ? ? ? ? ? ? 7 GLN A N 1
ATOM 62 C CA . GLN A 1 10 ? 8.355 14.129 29.493 1.00 66.51 ? ? ? ? ? ? 7 GLN A CA 1
ATOM 63 C C . GLN A 1 10 ? 8.671 14.978 30.729 1.00 63.77 ? ? ? ? ? ? 7 GLN A C 1
ATOM 64 O O . GLN A 1 10 ? 8.736 14.491 31.865 1.00 58.81 ? ? ? ? ? ? 7 GLN A O 1
ATOM 65 C CB . GLN A 1 10 ? 9.647 13.819 28.725 1.00 51.17 ? ? ? ? ? ? 7 GLN A CB 1
ATOM 66 C CG . GLN A 1 10 ? 9.458 12.833 27.596 1.00 68.40 ? ? ? ? ? ? 7 GLN A CG 1
ATOM 67 C CD . GLN A 1 10 ? 10.639 12.794 26.631 1.00 77.52 ? ? ? ? ? ? 7 GLN A CD 1
ATOM 68 O OE1 . GLN A 1 10 ? 11.661 13.459 26.844 1.00 70.37 ? ? ? ? ? ? 7 GLN A OE1 1
ATOM 69 N NE2 . GLN A 1 10 ? 10.499 12.011 25.559 1.00 62.05 ? ? ? ? ? ? 7 GLN A NE2 1
ATOM 70 N N . GLU A 1 11 ? 8.886 16.261 30.493 1.00 58.42 ? ? ? ? ? ? 8 GLU A N 1
ATOM 71 C CA . GLU A 1 11 ? 9.212 17.187 31.562 1.00 57.38 ? ? ? ? ? ? 8 GLU A CA 1
ATOM 72 C C . GLU A 1 11 ? 8.007 17.317 32.501 1.00 55.25 ? ? ? ? ? ? 8 GLU A C 1
ATOM 73 O O . GLU A 1 11 ? 8.153 17.402 33.725 1.00 58.19 ? ? ? ? ? ? 8 GLU A O 1
ATOM 74 C CB . GLU A 1 11 ? 9.633 18.518 30.932 1.00 62.99 ? ? ? ? ? ? 8 GLU A CB 1
ATOM 75 C CG . GLU A 1 11 ? 9.529 19.770 31.774 1.00 81.81 ? ? ? ? ? ? 8 GLU A CG 1
ATOM 76 C CD . GLU A 1 11 ? 9.732 21.026 30.914 1.00 108.77 ? ? ? ? ? ? 8 GLU A CD 1
ATOM 77 O OE1 . GLU A 1 11 ? 9.263 22.124 31.297 1.00 85.23 ? ? ? ? ? ? 8 GLU A OE1 1
ATOM 78 O OE2 . GLU A 1 11 ? 10.353 20.903 29.833 1.00 112.66 ? ? ? ? ? ? 8 GLU A OE2 1
ATOM 79 N N . ILE A 1 12 ? 6.810 17.307 31.932 1.00 59.80 ? ? ? ? ? ? 9 ILE A N 1
ATOM 80 C CA . ILE A 1 12 ? 5.596 17.284 32.746 1.00 60.58 ? ? ? ? ? ? 9 ILE A CA 1
ATOM 81 C C . ILE A 1 12 ? 5.525 15.985 33.560 1.00 64.36 ? ? ? ? ? ? 9 ILE A C 1
ATOM 82 O O . ILE A 1 12 ? 5.309 16.013 34.780 1.00 54.72 ? ? ? ? ? ? 9 ILE A O 1
ATOM 83 C CB . ILE A 1 12 ? 4.330 17.468 31.874 1.00 62.26 ? ? ? ? ? ? 9 ILE A CB 1
ATOM 84 C CG1 . ILE A 1 12 ? 4.177 18.937 31.477 1.00 54.97 ? ? ? ? ? ? 9 ILE A CG1 1
ATOM 85 C CG2 . ILE A 1 12 ? 3.069 16.981 32.603 1.00 54.11 ? ? ? ? ? ? 9 ILE A CG2 1
ATOM 86 C CD1 . ILE A 1 12 ? 3.114 19.182 30.410 1.00 54.18 ? ? ? ? ? ? 9 ILE A CD1 1
ATOM 87 N N . TYR A 1 13 ? 5.735 14.850 32.895 1.00 58.94 ? ? ? ? ? ? 10 TYR A N 1
ATOM 88 C CA . TYR A 1 13 ? 5.707 13.561 33.589 1.00 57.24 ? ? ? ? ? ? 10 TYR A CA 1
ATOM 89 C C . TYR A 1 13 ? 6.734 13.490 34.722 1.00 61.06 ? ? ? ? ? ? 10 TYR A C 1
ATOM 90 O O . TYR A 1 13 ? 6.451 12.963 35.803 1.00 64.42 ? ? ? ? ? ? 10 TYR A O 1
ATOM 91 C CB . TYR A 1 13 ? 5.924 12.393 32.619 1.00 67.91 ? ? ? ? ? ? 10 TYR A CB 1
ATOM 92 C CG . TYR A 1 13 ? 5.791 11.039 33.294 1.00 67.90 ? ? ? ? ? ? 10 TYR A CG 1
ATOM 93 C CD1 . TYR A 1 13 ? 4.535 10.527 33.632 1.00 70.77 ? ? ? ? ? ? 10 TYR A CD1 1
ATOM 94 C CD2 . TYR A 1 13 ? 6.914 10.283 33.614 1.00 67.14 ? ? ? ? ? ? 10 TYR A CD2 1
ATOM 95 C CE1 . TYR A 1 13 ? 4.402 9.298 34.258 1.00 64.84 ? ? ? ? ? ? 10 TYR A CE1 1
ATOM 96 C CE2 . TYR A 1 13 ? 6.794 9.044 34.239 1.00 74.27 ? ? ? ? ? ? 10 TYR A CE2 1
ATOM 97 C CZ . TYR A 1 13 ? 5.536 8.559 34.560 1.00 80.43 ? ? ? ? ? ? 10 TYR A CZ 1
ATOM 98 O OH . TYR A 1 13 ? 5.411 7.335 35.183 1.00 66.46 ? ? ? ? ? ? 10 TYR A OH 1
ATOM 99 N N . GLN A 1 14 ? 7.919 14.032 34.466 1.00 59.91 ? ? ? ? ? ? 11 GLN A N 1
ATOM 100 C CA . GLN A 1 14 ? 9.021 14.034 35.425 1.00 65.49 ? ? ? ? ? ? 11 GLN A CA 1
ATOM 101 C C . GLN A 1 14 ? 8.733 14.890 36.679 1.00 61.85 ? ? ? ? ? ? 11 GLN A C 1
ATOM 102 O O . GLN A 1 14 ? 9.086 14.502 37.796 1.00 66.63 ? ? ? ? ? ? 11 GLN A O 1
ATOM 103 C CB . GLN A 1 14 ? 10.296 14.505 34.721 1.00 67.68 ? ? ? ? ? ? 11 GLN A CB 1
ATOM 104 C CG . GLN A 1 14 ? 11.593 14.132 35.411 1.00 88.73 ? ? ? ? ? ? 11 GLN A CG 1
ATOM 105 C CD . GLN A 1 14 ? 12.086 12.754 35.015 1.00 99.86 ? ? ? ? ? ? 11 GLN A CD 1
ATOM 106 O OE1 A GLN A 1 14 ? 13.248 12.402 35.255 0.50 81.77 ? ? ? ? ? ? 11 GLN A OE1 1
ATOM 107 O OE1 B GLN A 1 14 ? 11.355 11.977 34.395 0.50 81.33 ? ? ? ? ? ? 11 GLN A OE1 1
ATOM 108 N NE2 A GLN A 1 14 ? 11.204 11.964 34.406 0.50 80.96 ? ? ? ? ? ? 11 GLN A NE2 1
ATOM 109 N NE2 B GLN A 1 14 ? 13.334 12.445 35.368 0.50 81.47 ? ? ? ? ? ? 11 GLN A NE2 1
ATOM 110 N N . GLU A 1 15 ? 8.097 16.046 36.487 1.00 61.08 ? ? ? ? ? ? 12 GLU A N 1
ATOM 111 C CA . GLU A 1 15 ? 7.590 16.866 37.590 1.00 57.59 ? ? ? ? ? ? 12 GLU A CA 1
ATOM 112 C C . GLU A 1 15 ? 6.576 16.122 38.456 1.00 53.70 ? ? ? ? ? ? 12 GLU A C 1
ATOM 113 O O . GLU A 1 15 ? 6.633 16.181 39.682 1.00 61.85 ? ? ? ? ? ? 12 GLU A O 1
ATOM 114 C CB . GLU A 1 15 ? 6.926 18.140 37.056 1.00 57.39 ? ? ? ? ? ? 12 GLU A CB 1
ATOM 115 C CG . GLU A 1 15 ? 7.893 19.252 36.728 1.00 74.48 ? ? ? ? ? ? 12 GLU A CG 1
ATOM 116 C CD . GLU A 1 15 ? 8.612 19.771 37.959 1.00 86.02 ? ? ? ? ? ? 12 GLU A CD 1
ATOM 117 O OE1 . GLU A 1 15 ? 7.936 20.038 38.979 1.00 97.61 ? ? ? ? ? ? 12 GLU A OE1 1
ATOM 118 O OE2 . GLU A 1 15 ? 9.854 19.909 37.905 1.00 98.30 ? ? ? ? ? ? 12 GLU A OE2 1
ATOM 119 N N . LEU A 1 16 ? 5.621 15.456 37.818 1.00 57.19 ? ? ? ? ? ? 13 LEU A N 1
ATOM 120 C CA . LEU A 1 16 ? 4.625 14.671 38.547 1.00 58.22 ? ? ? ? ? ? 13 LEU A CA 1
ATOM 121 C C . LEU A 1 16 ? 5.288 13.646 39.449 1.00 59.01 ? ? ? ? ? ? 13 LEU A C 1
ATOM 122 O O . LEU A 1 16 ? 4.913 13.490 40.610 1.00 67.98 ? ? ? ? ? ? 13 LEU A O 1
ATOM 123 C CB . LEU A 1 16 ? 3.735 13.923 37.571 1.00 63.62 ? ? ? ? ? ? 13 LEU A CB 1
ATOM 124 C CG . LEU A 1 16 ? 2.364 14.482 37.274 1.00 71.05 ? ? ? ? ? ? 13 LEU A CG 1
ATOM 125 C CD1 . LEU A 1 16 ? 1.617 13.425 36.486 1.00 62.93 ? ? ? ? ? ? 13 LEU A CD1 1
ATOM 126 C CD2 . LEU A 1 16 ? 1.670 14.790 38.579 1.00 79.58 ? ? ? ? ? ? 13 LEU A CD2 1
ATOM 127 N N . THR A 1 17 ? 6.242 12.916 38.879 1.00 60.33 ? ? ? ? ? ? 14 THR A N 1
ATOM 128 C CA . THR A 1 17 ? 7.072 11.970 39.624 1.00 63.44 ? ? ? ? ? ? 14 THR A CA 1
ATOM 129 C C . THR A 1 17 ? 7.678 12.592 40.903 1.00 57.01 ? ? ? ? ? ? 14 THR A C 1
ATOM 130 O O . THR A 1 17 ? 7.567 12.020 41.991 1.00 61.15 ? ? ? ? ? ? 14 THR A O 1
ATOM 131 C CB . THR A 1 17 ? 8.183 11.390 38.714 1.00 65.94 ? ? ? ? ? ? 14 THR A CB 1
ATOM 132 O OG1 . THR A 1 17 ? 7.580 10.624 37.663 1.00 63.01 ? ? ? ? ? ? 14 THR A OG1 1
ATOM 133 C CG2 . THR A 1 17 ? 9.124 10.489 39.502 1.00 74.37 ? ? ? ? ? ? 14 THR A CG2 1
ATOM 134 N N A ARG A 1 18 ? 8.286 13.769 40.774 0.50 60.53 ? ? ? ? ? ? 15 ARG A N 1
ATOM 135 C CA A ARG A 1 18 ? 8.903 14.440 41.922 0.50 64.64 ? ? ? ? ? ? 15 ARG A CA 1
ATOM 136 C C A ARG A 1 18 ? 7.867 15.000 42.911 0.50 65.25 ? ? ? ? ? ? 15 ARG A C 1
ATOM 137 O O A ARG A 1 18 ? 8.174 15.244 44.080 0.50 60.65 ? ? ? ? ? ? 15 ARG A O 1
ATOM 138 C CB A ARG A 1 18 ? 9.857 15.549 41.457 0.50 65.83 ? ? ? ? ? ? 15 ARG A CB 1
ATOM 139 C CG A ARG A 1 18 ? 10.863 15.121 40.391 0.50 64.71 ? ? ? ? ? ? 15 ARG A CG 1
ATOM 140 C CD A ARG A 1 18 ? 11.814 16.270 40.051 0.50 69.97 ? ? ? ? ? ? 15 ARG A CD 1
ATOM 141 N NE A ARG A 1 18 ? 12.505 16.084 38.775 0.50 69.52 ? ? ? ? ? ? 15 ARG A NE 1
ATOM 142 C CZ A ARG A 1 18 ? 12.236 16.774 37.670 0.50 69.32 ? ? ? ? ? ? 15 ARG A CZ 1
ATOM 143 N NH1 A ARG A 1 18 ? 11.291 17.706 37.674 0.50 55.65 ? ? ? ? ? ? 15 ARG A NH1 1
ATOM 144 N NH2 A ARG A 1 18 ? 12.919 16.538 36.559 0.50 76.31 ? ? ? ? ? ? 15 ARG A NH2 1
ATOM 145 N N B GLN A 1 18 ? 8.327 13.744 40.756 0.33 60.56 ? ? ? ? ? ? 15 GLN A N 1
ATOM 146 C CA B GLN A 1 18 ? 8.877 14.452 41.907 0.33 64.61 ? ? ? ? ? ? 15 GLN A CA 1
ATOM 147 C C B GLN A 1 18 ? 7.769 14.698 42.924 0.33 64.96 ? ? ? ? ? ? 15 GLN A C 1
ATOM 148 O O B GLN A 1 18 ? 7.924 14.416 44.116 0.33 61.27 ? ? ? ? ? ? 15 GLN A O 1
ATOM 149 C CB B GLN A 1 18 ? 9.492 15.793 41.487 0.33 66.08 ? ? ? ? ? ? 15 GLN A CB 1
ATOM 150 C CG B GLN A 1 18 ? 10.726 15.695 40.597 0.33 65.69 ? ? ? ? ? ? 15 GLN A CG 1
ATOM 151 C CD B GLN A 1 18 ? 11.327 17.061 40.276 0.33 69.35 ? ? ? ? ? ? 15 GLN A CD 1
ATOM 152 O OE1 B GLN A 1 18 ? 11.616 17.369 39.119 0.33 66.62 ? ? ? ? ? ? 15 GLN A OE1 1
ATOM 153 N NE2 B GLN A 1 18 ? 11.511 17.885 41.303 0.33 67.16 ? ? ? ? ? ? 15 GLN A NE2 1
ATOM 154 N N C GLU A 1 18 ? 8.306 13.754 40.761 0.17 60.57 ? ? ? ? ? ? 15 GLU A N 1
ATOM 155 C CA C GLU A 1 18 ? 8.887 14.450 41.904 0.17 64.60 ? ? ? ? ? ? 15 GLU A CA 1
ATOM 156 C C C GLU A 1 18 ? 7.813 14.816 42.928 0.17 64.89 ? ? ? ? ? ? 15 GLU A C 1
ATOM 157 O O C GLU A 1 18 ? 8.037 14.735 44.137 0.17 61.75 ? ? ? ? ? ? 15 GLU A O 1
ATOM 158 C CB C GLU A 1 18 ? 9.635 15.707 41.448 0.17 65.94 ? ? ? ? ? ? 15 GLU A CB 1
ATOM 159 C CG C GLU A 1 18 ? 10.877 15.425 40.613 0.17 65.71 ? ? ? ? ? ? 15 GLU A CG 1
ATOM 160 C CD C GLU A 1 18 ? 11.545 16.692 40.105 0.17 68.96 ? ? ? ? ? ? 15 GLU A CD 1
ATOM 161 O OE1 C GLU A 1 18 ? 10.877 17.748 40.063 0.17 67.85 ? ? ? ? ? ? 15 GLU A OE1 1
ATOM 162 O OE2 C GLU A 1 18 ? 12.740 16.631 39.744 0.17 68.13 ? ? ? ? ? ? 15 GLU A OE2 1
ATOM 163 N N . LEU A 1 19 ? 6.644 15.213 42.434 1.00 61.01 ? ? ? ? ? ? 16 LEU A N 1
ATOM 164 C CA . LEU A 1 19 ? 5.538 15.609 43.295 1.00 54.68 ? ? ? ? ? ? 16 LEU A CA 1
ATOM 165 C C . LEU A 1 19 ? 4.995 14.406 44.079 1.00 60.57 ? ? ? ? ? ? 16 LEU A C 1
ATOM 166 O O . LEU A 1 19 ? 4.695 14.500 45.280 1.00 59.72 ? ? ? ? ? ? 16 LEU A O 1
ATOM 167 C CB . LEU A 1 19 ? 4.444 16.265 42.456 1.00 54.32 ? ? ? ? ? ? 16 LEU A CB 1
ATOM 168 C CG . LEU A 1 19 ? 3.276 16.949 43.158 1.00 55.23 ? ? ? ? ? ? 16 LEU A CG 1
ATOM 169 C CD1 . LEU A 1 19 ? 3.772 17.802 44.297 1.00 55.73 ? ? ? ? ? ? 16 LEU A CD1 1
ATOM 170 C CD2 . LEU A 1 19 ? 2.501 17.779 42.158 1.00 63.66 ? ? ? ? ? ? 16 LEU A CD2 1
ATOM 171 N N . LYS A 1 20 ? 4.889 13.266 43.405 1.00 59.70 ? ? ? ? ? ? 17 LYS A N 1
ATOM 172 C CA . LYS A 1 20 ? 4.481 12.039 44.080 1.00 55.95 ? ? ? ? ? ? 17 LYS A CA 1
ATOM 173 C C . LYS A 1 20 ? 5.447 11.691 45.235 1.00 56.42 ? ? ? ? ? ? 17 LYS A C 1
ATOM 174 O O . LYS A 1 20 ? 5.017 11.312 46.336 1.00 57.45 ? ? ? ? ? ? 17 LYS A O 1
ATOM 175 C CB . LYS A 1 20 ? 4.370 10.894 43.065 1.00 59.78 ? ? ? ? ? ? 17 LYS A CB 1
ATOM 176 C CG . LYS A 1 20 ? 3.633 9.639 43.564 1.00 89.79 ? ? ? ? ? ? 17 LYS A CG 1
ATOM 177 C CD . LYS A 1 20 ? 2.359 9.997 44.347 1.00 92.67 ? ? ? ? ? ? 17 LYS A CD 1
ATOM 178 C CE . LYS A 1 20 ? 1.275 8.917 44.270 1.00 64.53 ? ? ? ? ? ? 17 LYS A CE 1
ATOM 179 N NZ . LYS A 1 20 ? 1.698 7.577 44.789 1.00 87.83 ? ? ? ? ? ? 17 LYS A NZ 1
ATOM 180 N N . ALA A 1 21 ? 6.748 11.849 44.996 1.00 66.43 ? ? ? ? ? ? 18 ALA A N 1
ATOM 181 C CA . ALA A 1 21 ? 7.766 11.495 45.989 1.00 65.28 ? ? ? ? ? ? 18 ALA A CA 1
ATOM 182 C C . ALA A 1 21 ? 7.732 12.422 47.219 1.00 63.65 ? ? ? ? ? ? 18 ALA A C 1
ATOM 183 O O . ALA A 1 21 ? 7.914 11.981 48.357 1.00 56.64 ? ? ? ? ? ? 18 ALA A O 1
ATOM 184 C CB . ALA A 1 21 ? 9.154 11.495 45.340 1.00 56.83 ? ? ? ? ? ? 18 ALA A CB 1
ATOM 185 N N . ALA A 1 22 ? 7.496 13.708 46.978 1.00 57.77 ? ? ? ? ? ? 19 ALA A N 1
ATOM 186 C CA . ALA A 1 22 ? 7.353 14.704 48.045 1.00 61.37 ? ? ? ? ? ? 19 ALA A CA 1
ATOM 187 C C . ALA A 1 22 ? 6.155 14.429 48.959 1.00 61.03 ? ? ? ? ? ? 19 ALA A C 1
ATOM 188 O O . ALA A 1 22 ? 6.237 14.567 50.176 1.00 63.99 ? ? ? ? ? ? 19 ALA A O 1
ATOM 189 C CB . ALA A 1 22 ? 7.232 16.108 47.436 1.00 62.74 ? ? ? ? ? ? 19 ALA A CB 1
ATOM 190 N N . VAL A 1 23 ? 5.026 14.070 48.368 1.00 58.00 ? ? ? ? ? ? 20 VAL A N 1
ATOM 191 C CA . VAL A 1 23 ? 3.844 13.743 49.153 1.00 52.09 ? ? ? ? ? ? 20 VAL A CA 1
ATOM 192 C C . VAL A 1 23 ? 4.096 12.495 50.021 1.00 58.95 ? ? ? ? ? ? 20 VAL A C 1
ATOM 193 O O . VAL A 1 23 ? 3.667 12.429 51.180 1.00 57.75 ? ? ? ? ? ? 20 VAL A O 1
ATOM 194 C CB . VAL A 1 23 ? 2.635 13.570 48.220 1.00 57.63 ? ? ? ? ? ? 20 VAL A CB 1
ATOM 195 C CG1 . VAL A 1 23 ? 1.488 12.851 48.920 1.00 60.21 ? ? ? ? ? ? 20 VAL A CG1 1
ATOM 196 C CG2 . VAL A 1 23 ? 2.204 14.933 47.712 1.00 50.88 ? ? ? ? ? ? 20 VAL A CG2 1
ATOM 197 N N . GLY A 1 24 ? 4.827 11.526 49.471 1.00 59.12 ? ? ? ? ? ? 21 GLY A N 1
ATOM 198 C CA . GLY A 1 24 ? 5.193 10.318 50.204 1.00 54.18 ? ? ? ? ? ? 21 GLY A CA 1
ATOM 199 C C . GLY A 1 24 ? 6.130 10.560 51.383 1.00 58.97 ? ? ? ? ? ? 21 GLY A C 1
ATOM 200 O O . GLY A 1 24 ? 6.355 9.667 52.205 1.00 62.82 ? ? ? ? ? ? 21 GLY A O 1
ATOM 201 N N . GLU A 1 25 ? 6.689 11.766 51.471 1.00 65.31 ? ? ? ? ? ? 22 GLU A N 1
ATOM 202 C CA . GLU A 1 25 ? 7.501 12.142 52.631 1.00 53.36 ? ? ? ? ? ? 22 GLU A CA 1
ATOM 203 C C . GLU A 1 25 ? 6.747 13.002 53.666 1.00 57.04 ? ? ? ? ? ? 22 GLU A C 1
ATOM 204 O O . GLU A 1 25 ? 7.315 13.389 54.686 1.00 57.40 ? ? ? ? ? ? 22 GLU A O 1
ATOM 205 C CB . GLU A 1 25 ? 8.795 12.837 52.182 1.00 64.46 ? ? ? ? ? ? 22 GLU A CB 1
ATOM 206 C CG . GLU A 1 25 ? 9.800 11.881 51.547 1.00 64.59 ? ? ? ? ? ? 22 GLU A CG 1
ATOM 207 C CD . GLU A 1 25 ? 11.065 12.573 51.073 1.00 80.77 ? ? ? ? ? ? 22 GLU A CD 1
ATOM 208 O OE1 . GLU A 1 25 ? 10.987 13.758 50.673 1.00 95.34 ? ? ? ? ? ? 22 GLU A OE1 1
ATOM 209 O OE2 . GLU A 1 25 ? 12.140 11.928 51.098 1.00 95.51 ? ? ? ? ? ? 22 GLU A OE2 1
ATOM 210 N N . LEU A 1 26 ? 5.472 13.294 53.408 1.00 70.07 ? ? ? ? ? ? 23 LEU A N 1
ATOM 211 C CA . LEU A 1 26 ? 4.663 14.098 54.330 1.00 70.35 ? ? ? ? ? ? 23 LEU A CA 1
ATOM 212 C C . LEU A 1 26 ? 4.294 13.316 55.584 1.00 61.17 ? ? ? ? ? ? 23 LEU A C 1
ATOM 213 O O . LEU A 1 26 ? 4.100 12.101 55.537 1.00 63.35 ? ? ? ? ? ? 23 LEU A O 1
ATOM 214 C CB . LEU A 1 26 ? 3.390 14.601 53.641 1.00 59.78 ? ? ? ? ? ? 23 LEU A CB 1
ATOM 215 C CG . LEU A 1 26 ? 3.619 15.719 52.626 1.00 55.79 ? ? ? ? ? ? 23 LEU A CG 1
ATOM 216 C CD1 . LEU A 1 26 ? 2.333 16.040 51.884 1.00 54.17 ? ? ? ? ? ? 23 LEU A CD1 1
ATOM 217 C CD2 . LEU A 1 26 ? 4.177 16.967 53.319 1.00 55.01 ? ? ? ? ? ? 23 LEU A CD2 1
HETATM 218 O O . HOH B 2 . ? 10.203 10.203 18.359 0.50 45.14 ? ? ? ? ? ? 142 HOH A O 1
HETATM 219 O O . HOH B 2 . ? 6.211 26.244 30.783 1.00 46.50 ? ? ? ? ? ? 143 HOH A O 1
HETATM 220 O O . HOH B 2 . ? 6.574 21.995 23.225 1.00 49.64 ? ? ? ? ? ? 144 HOH A O 1
HETATM 221 O O . HOH B 2 . ? 7.806 15.959 19.262 1.00 56.68 ? ? ? ? ? ? 145 HOH A O 1
HETATM 222 O O . HOH B 2 . ? 5.728 9.485 55.215 1.00 67.57 ? ? ? ? ? ? 146 HOH A O 1
HETATM 223 O O . HOH B 2 . ? 10.292 15.660 45.164 1.00 79.93 ? ? ? ? ? ? 147 HOH A O 1
HETATM 224 O O . HOH B 2 . ? 1.771 17.897 19.441 1.00 61.82 ? ? ? ? ? ? 148 HOH A O 1
HETATM 225 O O . HOH B 2 . ? 8.688 23.147 39.148 1.00 72.30 ? ? ? ? ? ? 149 HOH A O 1
HETATM 226 O O . HOH B 2 . ? 10.949 16.440 21.765 1.00 63.35 ? ? ? ? ? ? 150 HOH A O 1
HETATM 227 O O . HOH B 2 . ? 3.020 10.543 53.432 1.00 60.89 ? ? ? ? ? ? 151 HOH A O 1
HETATM 228 O O . HOH B 2 . ? 10.875 18.507 35.187 1.00 70.23 ? ? ? ? ? ? 152 HOH A O 1
HETATM 229 O O . HOH B 2 . ? 1.789 9.052 49.613 1.00 62.48 ? ? ? ? ? ? 153 HOH A O 1
HETATM 230 O O . HOH B 2 . ? 7.735 16.611 51.223 1.00 57.58 ? ? ? ? ? ? 154 HOH A O 1
HETATM 231 O O . HOH B 2 . ? 2.657 9.716 47.234 1.00 72.48 ? ? ? ? ? ? 155 HOH A O 1
HETATM 232 O O . HOH B 2 . ? 9.531 8.472 24.224 1.00 65.69 ? ? ? ? ? ? 156 HOH A O 1
HETATM 233 O O . HOH B 2 . ? 7.749 8.824 42.253 1.00 78.52 ? ? ? ? ? ? 157 HOH A O 1
HETATM 234 O O . HOH B 2 . ? 11.824 12.164 31.348 1.00 72.19 ? ? ? ? ? ? 158 HOH A O 1
HETATM 235 O O . HOH B 2 . ? 12.722 16.650 33.934 1.00 89.26 ? ? ? ? ? ? 159 HOH A O 1
HETATM 236 O O . HOH B 2 . ? 6.986 6.986 36.719 0.50 78.66 ? ? ? ? ? ? 160 HOH A O 1
HETATM 237 O O . HOH B 2 . ? 9.617 19.964 41.514 1.00 88.38 ? ? ? ? ? ? 161 HOH A O 1
HETATM 238 O O . HOH B 2 . ? 4.669 6.929 49.319 1.00 77.12 ? ? ? ? ? ? 162 HOH A O 1
#
loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.seq_id
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.ndb_seq_num
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.pdb_mon_id
_pdbx_poly_seq_scheme.auth_mon_id
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.pdb_ins_code
_pdbx_poly_seq_scheme.hetero
A 1 1 GLY 1 -2 ? ? ? A . n
A 1 2 GLU 2 -1 ? ? ? A . n
A 1 3 LEU 3 0 ? ? ? A . n
A 1 4 PRO 4 1 1 PRO PRO A . y
A 1 4 SER 4 1 1 SER SER A . y
A 1 5 GLU 5 2 2 GLU GLU A . n
A 1 6 LYS 6 3 3 LYS LYS A . n
A 1 7 SER 7 4 4 SER SER A . n
A 1 8 LYS 8 5 5 LYS LYS A . n
A 1 9 LEU 9 6 6 LEU LEU A . n
A 1 10 GLN 10 7 7 GLN GLN A . n
A 1 11 GLU 11 8 8 GLU GLU A . n
A 1 12 ILE 12 9 9 ILE ILE A . n
A 1 13 TYR 13 10 10 TYR TYR A . n
A 1 14 GLN 14 11 11 GLN GLN A . n
A 1 15 GLU 15 12 12 GLU GLU A . n
A 1 16 LEU 16 13 13 LEU LEU A . n
A 1 17 THR 17 14 14 THR THR A . n
A 1 18 ARG 18 15 15 ARG ARG A . y
A 1 18 GLN 18 15 15 GLN GLN A . y
A 1 18 GLU 18 15 15 GLU GLU A . y
A 1 19 LEU 19 16 16 LEU LEU A . n
A 1 20 LYS 20 17 17 LYS LYS A . n
A 1 21 ALA 21 18 18 ALA ALA A . n
A 1 22 ALA 22 19 19 ALA ALA A . n
A 1 23 VAL 23 20 20 VAL VAL A . n
A 1 24 GLY 24 21 21 GLY GLY A . n
A 1 25 GLU 25 22 22 GLU GLU A . n
A 1 26 LEU 26 23 23 LEU LEU A . n
A 1 27 PRO 27 24 ? ? ? A . n
A 1 28 GLU 28 25 ? ? ? A . n
A 1 29 LYS 29 26 ? ? ? A . n
A 1 30 SER 30 27 ? ? ? A . n
A 1 31 LYS 31 28 ? ? ? A . n
A 1 32 LEU 32 29 ? ? ? A . n
A 1 33 GLN 33 30 ? ? ? A . n
A 1 34 GLU 34 31 ? ? ? A . n
A 1 35 ILE 35 32 ? ? ? A . n
A 1 36 TYR 36 33 ? ? ? A . n
A 1 37 GLN 37 34 ? ? ? A . n
A 1 38 GLU 38 35 ? ? ? A . n
A 1 39 LEU 39 36 ? ? ? A . n
A 1 40 THR 40 37 ? ? ? A . n
A 1 41 ARG 41 38 ? ? ? A . n
A 1 42 LEU 42 39 ? ? ? A . n
A 1 43 LYS 43 40 ? ? ? A . n
A 1 44 ALA 44 41 ? ? ? A . n
A 1 45 ALA 45 42 ? ? ? A . n
A 1 46 VAL 46 43 ? ? ? A . n
A 1 47 GLY 47 44 ? ? ? A . n
A 1 48 GLU 48 45 ? ? ? A . n
A 1 49 LEU 49 46 ? ? ? A . n
A 1 50 PRO 50 47 ? ? ? A . n
A 1 51 GLU 51 48 ? ? ? A . n
A 1 52 LYS 52 49 ? ? ? A . n
A 1 53 SER 53 50 ? ? ? A . n
A 1 54 LYS 54 51 ? ? ? A . n
A 1 55 LEU 55 52 ? ? ? A . n
A 1 56 GLN 56 53 ? ? ? A . n
A 1 57 GLU 57 54 ? ? ? A . n
A 1 58 ILE 58 55 ? ? ? A . n
A 1 59 TYR 59 56 ? ? ? A . n
A 1 60 GLN 60 57 ? ? ? A . n
A 1 61 GLU 61 58 ? ? ? A . n
A 1 62 LEU 62 59 ? ? ? A . n
A 1 63 THR 63 60 ? ? ? A . n
A 1 64 ARG 64 61 ? ? ? A . n
A 1 65 LEU 65 62 ? ? ? A . n
A 1 66 LYS 66 63 ? ? ? A . n
A 1 67 ALA 67 64 ? ? ? A . n
A 1 68 ALA 68 65 ? ? ? A . n
A 1 69 VAL 69 66 ? ? ? A . n
A 1 70 GLY 70 67 ? ? ? A . n
A 1 71 GLU 71 68 ? ? ? A . n
A 1 72 LEU 72 69 ? ? ? A . n
A 1 73 PRO 73 70 ? ? ? A . n
A 1 74 GLU 74 71 ? ? ? A . n
A 1 75 LYS 75 72 ? ? ? A . n
A 1 76 SER 76 73 ? ? ? A . n
A 1 77 LYS 77 74 ? ? ? A . n
A 1 78 LEU 78 75 ? ? ? A . n
A 1 79 GLN 79 76 ? ? ? A . n
A 1 80 GLU 80 77 ? ? ? A . n
A 1 81 ILE 81 78 ? ? ? A . n
A 1 82 TYR 82 79 ? ? ? A . n
A 1 83 GLN 83 80 ? ? ? A . n
A 1 84 GLU 84 81 ? ? ? A . n
A 1 85 LEU 85 82 ? ? ? A . n
A 1 86 THR 86 83 ? ? ? A . n
A 1 87 ARG 87 84 ? ? ? A . n
A 1 88 LEU 88 85 ? ? ? A . n
A 1 89 LYS 89 86 ? ? ? A . n
A 1 90 ALA 90 87 ? ? ? A . n
A 1 91 ALA 91 88 ? ? ? A . n
A 1 92 VAL 92 89 ? ? ? A . n
A 1 93 GLY 93 90 ? ? ? A . n
A 1 94 GLU 94 91 ? ? ? A . n
A 1 95 LEU 95 92 ? ? ? A . n
A 1 96 PRO 96 93 ? ? ? A . n
A 1 97 GLU 97 94 ? ? ? A . n
A 1 98 LYS 98 95 ? ? ? A . n
A 1 99 SER 99 96 ? ? ? A . n
A 1 100 LYS 100 97 ? ? ? A . n
A 1 101 LEU 101 98 ? ? ? A . n
A 1 102 GLN 102 99 ? ? ? A . n
A 1 103 GLU 103 100 ? ? ? A . n
A 1 104 ILE 104 101 ? ? ? A . n
A 1 105 TYR 105 102 ? ? ? A . n
A 1 106 GLN 106 103 ? ? ? A . n
A 1 107 GLU 107 104 ? ? ? A . n
A 1 108 LEU 108 105 ? ? ? A . n
A 1 109 THR 109 106 ? ? ? A . n
A 1 110 GLU 110 107 ? ? ? A . n
A 1 111 LEU 111 108 ? ? ? A . n
A 1 112 LYS 112 109 ? ? ? A . n
A 1 113 ALA 113 110 ? ? ? A . n
A 1 114 ALA 114 111 ? ? ? A . n
A 1 115 VAL 115 112 ? ? ? A . n
A 1 116 GLY 116 113 ? ? ? A . n
A 1 117 GLU 117 114 ? ? ? A . n
A 1 118 LEU 118 115 ? ? ? A . n
A 1 119 PRO 119 116 ? ? ? A . n
A 1 120 GLU 120 117 ? ? ? A . n
A 1 121 LYS 121 118 ? ? ? A . n
A 1 122 SER 122 119 ? ? ? A . n
A 1 123 LYS 123 120 ? ? ? A . n
A 1 124 LEU 124 121 ? ? ? A . n
A 1 125 GLN 125 122 ? ? ? A . n
A 1 126 GLU 126 123 ? ? ? A . n
A 1 127 ILE 127 124 ? ? ? A . n
A 1 128 TYR 128 125 ? ? ? A . n
A 1 129 GLN 129 126 ? ? ? A . n
A 1 130 GLU 130 127 ? ? ? A . n
A 1 131 LEU 131 128 ? ? ? A . n
A 1 132 THR 132 129 ? ? ? A . n
A 1 133 GLN 133 130 ? ? ? A . n
A 1 134 LEU 134 131 ? ? ? A . n
A 1 135 LYS 135 132 ? ? ? A . n
A 1 136 ALA 136 133 ? ? ? A . n
A 1 137 ALA 137 134 ? ? ? A . n
A 1 138 VAL 138 135 ? ? ? A . n
A 1 139 GLY 139 136 ? ? ? A . n
A 1 140 GLU 140 137 ? ? ? A . n
A 1 141 LEU 141 138 ? ? ? A . n
A 1 142 PRO 142 139 ? ? ? A . n
A 1 143 ASP 143 140 ? ? ? A . n
A 1 144 GLN 144 141 ? ? ? A . n
A 1 145 SER 145 142 ? ? ? A . n
A 1 146 LYS 146 143 ? ? ? A . n
A 1 147 GLN 147 144 ? ? ? A . n
A 1 148 GLN 148 145 ? ? ? A . n
A 1 149 GLN 149 146 ? ? ? A . n
A 1 150 ILE 150 147 ? ? ? A . n
A 1 151 TYR 151 148 ? ? ? A . n
A 1 152 GLN 152 149 ? ? ? A . n
A 1 153 GLU 153 150 ? ? ? A . n
A 1 154 LEU 154 151 ? ? ? A . n
A 1 155 THR 155 152 ? ? ? A . n
A 1 156 ASP 156 153 ? ? ? A . n
A 1 157 LEU 157 154 ? ? ? A . n
A 1 158 LYS 158 155 ? ? ? A . n
A 1 159 THR 159 156 ? ? ? A . n
A 1 160 ALA 160 157 ? ? ? A . n
A 1 161 PHE 161 158 ? ? ? A . n
A 1 162 GLU 162 159 ? ? ? A . n
A 1 163 ARG 163 160 ? ? ? A . n
A 1 164 LEU 164 161 ? ? ? A . n
A 1 165 GLY 165 162 ? ? ? A . n
A 1 166 HIS 166 163 ? ? ? A . n
A 1 167 HIS 167 164 ? ? ? A . n
#
_pdbx_struct_assembly.id 1
_pdbx_struct_assembly.details author_and_software_defined_assembly
_pdbx_struct_assembly.method_details PISA
_pdbx_struct_assembly.oligomeric_details 24-meric
_pdbx_struct_assembly.oligomeric_count 24
#
_pdbx_struct_assembly_gen.assembly_id 1
_pdbx_struct_assembly_gen.oper_expression 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24
_pdbx_struct_assembly_gen.asym_id_list A,B
#
loop_
_pdbx_struct_assembly_prop.biol_id
_pdbx_struct_assembly_prop.type
_pdbx_struct_assembly_prop.value
_pdbx_struct_assembly_prop.details
1 'ABSA (A^2)' 4670 ?
1 'SSA (A^2)' 5660 ?
1 MORE -52 ?
#
loop_
_pdbx_struct_oper_list.id
_pdbx_struct_oper_list.type
_pdbx_struct_oper_list.name
_pdbx_struct_oper_list.symmetry_operation
_pdbx_struct_oper_list.matrix[1][1]
_pdbx_struct_oper_list.matrix[1][2]
_pdbx_struct_oper_list.matrix[1][3]
_pdbx_struct_oper_list.vector[1]
_pdbx_struct_oper_list.matrix[2][1]
_pdbx_struct_oper_list.matrix[2][2]
_pdbx_struct_oper_list.matrix[2][3]
_pdbx_struct_oper_list.vector[2]
_pdbx_struct_oper_list.matrix[3][1]
_pdbx_struct_oper_list.matrix[3][2]
_pdbx_struct_oper_list.matrix[3][3]
_pdbx_struct_oper_list.vector[3]
1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
2 'crystal symmetry operation' 1_556 x,y,z+1 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 36.7200000000
3 'crystal symmetry operation' 1_557 x,y,z+2 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 73.4400000000
4 'crystal symmetry operation' 1_558 x,y,z+3 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 110.1600000000
5 'crystal symmetry operation' 1_559 x,y,z+4 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 146.8800000000
6 'crystal symmetry operation' 1_554 x,y,z-1 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 -36.7200000000
7 'crystal symmetry operation' 2_565 -x,-y+1,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
-1.0000000000 0.0000000000 34.1700000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
8 'crystal symmetry operation' 2_566 -x,-y+1,z+1 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
-1.0000000000 0.0000000000 34.1700000000 0.0000000000 0.0000000000 1.0000000000 36.7200000000
9 'crystal symmetry operation' 2_567 -x,-y+1,z+2 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
-1.0000000000 0.0000000000 34.1700000000 0.0000000000 0.0000000000 1.0000000000 73.4400000000
10 'crystal symmetry operation' 2_568 -x,-y+1,z+3 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
-1.0000000000 0.0000000000 34.1700000000 0.0000000000 0.0000000000 1.0000000000 110.1600000000
11 'crystal symmetry operation' 2_569 -x,-y+1,z+4 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
-1.0000000000 0.0000000000 34.1700000000 0.0000000000 0.0000000000 1.0000000000 146.8800000000
12 'crystal symmetry operation' 2_564 -x,-y+1,z-1 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000
-1.0000000000 0.0000000000 34.1700000000 0.0000000000 0.0000000000 1.0000000000 -36.7200000000
13 'crystal symmetry operation' 3_555 -y+1/2,x+1/2,z 0.0000000000 -1.0000000000 0.0000000000 17.0850000000 1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
14 'crystal symmetry operation' 3_556 -y+1/2,x+1/2,z+1 0.0000000000 -1.0000000000 0.0000000000 17.0850000000 1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 36.7200000000
15 'crystal symmetry operation' 3_557 -y+1/2,x+1/2,z+2 0.0000000000 -1.0000000000 0.0000000000 17.0850000000 1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 73.4400000000
16 'crystal symmetry operation' 3_558 -y+1/2,x+1/2,z+3 0.0000000000 -1.0000000000 0.0000000000 17.0850000000 1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 110.1600000000
17 'crystal symmetry operation' 3_559 -y+1/2,x+1/2,z+4 0.0000000000 -1.0000000000 0.0000000000 17.0850000000 1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 146.8800000000
18 'crystal symmetry operation' 3_554 -y+1/2,x+1/2,z-1 0.0000000000 -1.0000000000 0.0000000000 17.0850000000 1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 -36.7200000000
19 'crystal symmetry operation' 4_455 y-1/2,-x+1/2,z 0.0000000000 1.0000000000 0.0000000000 -17.0850000000 -1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
20 'crystal symmetry operation' 4_456 y-1/2,-x+1/2,z+1 0.0000000000 1.0000000000 0.0000000000 -17.0850000000 -1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 36.7200000000
21 'crystal symmetry operation' 4_457 y-1/2,-x+1/2,z+2 0.0000000000 1.0000000000 0.0000000000 -17.0850000000 -1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 73.4400000000
22 'crystal symmetry operation' 4_458 y-1/2,-x+1/2,z+3 0.0000000000 1.0000000000 0.0000000000 -17.0850000000 -1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 110.1600000000
23 'crystal symmetry operation' 4_459 y-1/2,-x+1/2,z+4 0.0000000000 1.0000000000 0.0000000000 -17.0850000000 -1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 146.8800000000
24 'crystal symmetry operation' 4_454 y-1/2,-x+1/2,z-1 0.0000000000 1.0000000000 0.0000000000 -17.0850000000 -1.0000000000
0.0000000000 0.0000000000 17.0850000000 0.0000000000 0.0000000000 1.0000000000 -36.7200000000
#
loop_
_software.name
_software.classification
_software.version
_software.citation_id
_software.pdbx_ordinal
blue 'data collection' ice ? 1
PHENIX 'model building' . ? 2
CNS 'model building' . ? 3
PHENIX refinement '(phenix.refine)' ? 4
#
loop_
_pdbx_unobs_or_zero_occ_residues.id
_pdbx_unobs_or_zero_occ_residues.polymer_flag
_pdbx_unobs_or_zero_occ_residues.occupancy_flag
_pdbx_unobs_or_zero_occ_residues.PDB_model_num
_pdbx_unobs_or_zero_occ_residues.auth_asym_id
_pdbx_unobs_or_zero_occ_residues.auth_comp_id
_pdbx_unobs_or_zero_occ_residues.auth_seq_id
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code
1 Y 1 1 A GLY -2 ?
2 Y 1 1 A GLU -1 ?
3 Y 1 1 A LEU 0 ?
4 Y 1 1 A PRO 24 ?
5 Y 1 1 A GLU 25 ?
6 Y 1 1 A LYS 26 ?
7 Y 1 1 A SER 27 ?
8 Y 1 1 A LYS 28 ?
9 Y 1 1 A LEU 29 ?
10 Y 1 1 A GLN 30 ?
11 Y 1 1 A GLU 31 ?
12 Y 1 1 A ILE 32 ?
13 Y 1 1 A TYR 33 ?
14 Y 1 1 A GLN 34 ?
15 Y 1 1 A GLU 35 ?
16 Y 1 1 A LEU 36 ?
17 Y 1 1 A THR 37 ?
18 Y 1 1 A ARG 38 ?
19 Y 1 1 A LEU 39 ?
20 Y 1 1 A LYS 40 ?
21 Y 1 1 A ALA 41 ?
22 Y 1 1 A ALA 42 ?
23 Y 1 1 A VAL 43 ?
24 Y 1 1 A GLY 44 ?
25 Y 1 1 A GLU 45 ?
26 Y 1 1 A LEU 46 ?
27 Y 1 1 A PRO 47 ?
28 Y 1 1 A GLU 48 ?
29 Y 1 1 A LYS 49 ?
30 Y 1 1 A SER 50 ?
31 Y 1 1 A LYS 51 ?
32 Y 1 1 A LEU 52 ?
33 Y 1 1 A GLN 53 ?
34 Y 1 1 A GLU 54 ?
35 Y 1 1 A ILE 55 ?
36 Y 1 1 A TYR 56 ?
37 Y 1 1 A GLN 57 ?
38 Y 1 1 A GLU 58 ?
39 Y 1 1 A LEU 59 ?
40 Y 1 1 A THR 60 ?
41 Y 1 1 A ARG 61 ?
42 Y 1 1 A LEU 62 ?
43 Y 1 1 A LYS 63 ?
44 Y 1 1 A ALA 64 ?
45 Y 1 1 A ALA 65 ?
46 Y 1 1 A VAL 66 ?
47 Y 1 1 A GLY 67 ?
48 Y 1 1 A GLU 68 ?
49 Y 1 1 A LEU 69 ?
50 Y 1 1 A PRO 70 ?
51 Y 1 1 A GLU 71 ?
52 Y 1 1 A LYS 72 ?
53 Y 1 1 A SER 73 ?
54 Y 1 1 A LYS 74 ?
55 Y 1 1 A LEU 75 ?
56 Y 1 1 A GLN 76 ?
57 Y 1 1 A GLU 77 ?
58 Y 1 1 A ILE 78 ?
59 Y 1 1 A TYR 79 ?
60 Y 1 1 A GLN 80 ?
61 Y 1 1 A GLU 81 ?
62 Y 1 1 A LEU 82 ?
63 Y 1 1 A THR 83 ?
64 Y 1 1 A ARG 84 ?
65 Y 1 1 A LEU 85 ?
66 Y 1 1 A LYS 86 ?
67 Y 1 1 A ALA 87 ?
68 Y 1 1 A ALA 88 ?
69 Y 1 1 A VAL 89 ?
70 Y 1 1 A GLY 90 ?
71 Y 1 1 A GLU 91 ?
72 Y 1 1 A LEU 92 ?
73 Y 1 1 A PRO 93 ?
74 Y 1 1 A GLU 94 ?
75 Y 1 1 A LYS 95 ?
76 Y 1 1 A SER 96 ?
77 Y 1 1 A LYS 97 ?
78 Y 1 1 A LEU 98 ?
79 Y 1 1 A GLN 99 ?
80 Y 1 1 A GLU 100 ?
81 Y 1 1 A ILE 101 ?
82 Y 1 1 A TYR 102 ?
83 Y 1 1 A GLN 103 ?
84 Y 1 1 A GLU 104 ?
85 Y 1 1 A LEU 105 ?
86 Y 1 1 A THR 106 ?
87 Y 1 1 A GLU 107 ?
88 Y 1 1 A LEU 108 ?
89 Y 1 1 A LYS 109 ?
90 Y 1 1 A ALA 110 ?
91 Y 1 1 A ALA 111 ?
92 Y 1 1 A VAL 112 ?
93 Y 1 1 A GLY 113 ?
94 Y 1 1 A GLU 114 ?
95 Y 1 1 A LEU 115 ?
96 Y 1 1 A PRO 116 ?
97 Y 1 1 A GLU 117 ?
98 Y 1 1 A LYS 118 ?
99 Y 1 1 A SER 119 ?
100 Y 1 1 A LYS 120 ?
101 Y 1 1 A LEU 121 ?
102 Y 1 1 A GLN 122 ?
103 Y 1 1 A GLU 123 ?
104 Y 1 1 A ILE 124 ?
105 Y 1 1 A TYR 125 ?
106 Y 1 1 A GLN 126 ?
107 Y 1 1 A GLU 127 ?
108 Y 1 1 A LEU 128 ?
109 Y 1 1 A THR 129 ?
110 Y 1 1 A GLN 130 ?
111 Y 1 1 A LEU 131 ?
112 Y 1 1 A LYS 132 ?
113 Y 1 1 A ALA 133 ?
114 Y 1 1 A ALA 134 ?
115 Y 1 1 A VAL 135 ?
116 Y 1 1 A GLY 136 ?
117 Y 1 1 A GLU 137 ?
118 Y 1 1 A LEU 138 ?
119 Y 1 1 A PRO 139 ?
120 Y 1 1 A ASP 140 ?
121 Y 1 1 A GLN 141 ?
122 Y 1 1 A SER 142 ?
123 Y 1 1 A LYS 143 ?
124 Y 1 1 A GLN 144 ?
125 Y 1 1 A GLN 145 ?
126 Y 1 1 A GLN 146 ?
127 Y 1 1 A ILE 147 ?
128 Y 1 1 A TYR 148 ?
129 Y 1 1 A GLN 149 ?
130 Y 1 1 A GLU 150 ?
131 Y 1 1 A LEU 151 ?
132 Y 1 1 A THR 152 ?
133 Y 1 1 A ASP 153 ?
134 Y 1 1 A LEU 154 ?
135 Y 1 1 A LYS 155 ?
136 Y 1 1 A THR 156 ?
137 Y 1 1 A ALA 157 ?
138 Y 1 1 A PHE 158 ?
139 Y 1 1 A GLU 159 ?
140 Y 1 1 A ARG 160 ?
141 Y 1 1 A LEU 161 ?
142 Y 1 1 A GLY 162 ?
143 Y 1 1 A HIS 163 ?
144 Y 1 1 A HIS 164 ?
#
loop_
_pdbx_version.entry_id
_pdbx_version.revision_date
_pdbx_version.major_version
_pdbx_version.minor_version
_pdbx_version.revision_type
_pdbx_version.details
3JQH 2009-09-18 3 2 'Version format compliance' 'compliance with PDB format V.3.20'
3JQH 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4'
#
_pdbx_entry_details.entry_id 3JQH
_pdbx_entry_details.sequence_details
;THE COMPLETE SEQUENCE HAS 7 REPEATS AND THE ASYMMETRIC UNIT
CONTAINS 1 REPEAT OF 23 RESIDUES. THE MODEL IN COORDINATES
REPRESENTS THE AVERAGE OF FIRST 6 REPEATS WITH ALTERNATE
CONFORMATION AT 1 AND 15. THE 7TH REPEAT IS DISORDERED.
GELSEKSKLQEIYQELTQLKAAVGEL
PEKSKLQEIYQELTRLKAAVGEL
PEKSKLQEIYQELTRLKAAVGEL
PEKSKLQEIYQELTRLKAAVGEL
PEKSKLQEIYQELTELKAAVGEL
PEKSKLQEIYQELTQLKAAVGEL
PDQSKQQQIYQELTDLKTAFERLGHH
;
_pdbx_entry_details.nonpolymer_details ?
_pdbx_entry_details.compound_details ?
_pdbx_entry_details.source_details ?
#
loop_
_pdbx_nonpoly_scheme.asym_id
_pdbx_nonpoly_scheme.entity_id
_pdbx_nonpoly_scheme.mon_id
_pdbx_nonpoly_scheme.ndb_seq_num
_pdbx_nonpoly_scheme.pdb_seq_num
_pdbx_nonpoly_scheme.auth_seq_num
_pdbx_nonpoly_scheme.pdb_mon_id
_pdbx_nonpoly_scheme.auth_mon_id
_pdbx_nonpoly_scheme.pdb_strand_id
_pdbx_nonpoly_scheme.pdb_ins_code
B 2 HOH 1 142 1 HOH HOH A .
B 2 HOH 2 143 2 HOH HOH A .
B 2 HOH 3 144 3 HOH HOH A .
B 2 HOH 4 145 4 HOH HOH A .
B 2 HOH 5 146 5 HOH HOH A .
B 2 HOH 6 147 6 HOH HOH A .
B 2 HOH 7 148 7 HOH HOH A .
B 2 HOH 8 149 8 HOH HOH A .
B 2 HOH 9 150 9 HOH HOH A .
B 2 HOH 10 151 10 HOH HOH A .
B 2 HOH 11 152 11 HOH HOH A .
B 2 HOH 12 153 12 HOH HOH A .
B 2 HOH 13 154 13 HOH HOH A .
B 2 HOH 14 155 14 HOH HOH A .
B 2 HOH 15 156 15 HOH HOH A .
B 2 HOH 16 157 16 HOH HOH A .
B 2 HOH 17 158 17 HOH HOH A .
B 2 HOH 18 159 18 HOH HOH A .
B 2 HOH 19 160 19 HOH HOH A .
B 2 HOH 20 161 20 HOH HOH A .
B 2 HOH 21 162 21 HOH HOH A .
#
loop_
_pdbx_validate_symm_contact.id
_pdbx_validate_symm_contact.PDB_model_num
_pdbx_validate_symm_contact.auth_atom_id_1
_pdbx_validate_symm_contact.auth_asym_id_1
_pdbx_validate_symm_contact.auth_comp_id_1
_pdbx_validate_symm_contact.auth_seq_id_1
_pdbx_validate_symm_contact.PDB_ins_code_1
_pdbx_validate_symm_contact.label_alt_id_1
_pdbx_validate_symm_contact.site_symmetry_1
_pdbx_validate_symm_contact.auth_atom_id_2
_pdbx_validate_symm_contact.auth_asym_id_2
_pdbx_validate_symm_contact.auth_comp_id_2
_pdbx_validate_symm_contact.auth_seq_id_2
_pdbx_validate_symm_contact.PDB_ins_code_2
_pdbx_validate_symm_contact.label_alt_id_2
_pdbx_validate_symm_contact.site_symmetry_2
_pdbx_validate_symm_contact.dist
1 1 N A SER 1 ? B 1_555 C A LEU 23 ? ? 3_554 1.33
2 1 N A PRO 1 ? A 1_555 C A LEU 23 ? ? 3_554 1.33
3 1 N A SER 1 ? B 1_555 O A LEU 23 ? ? 3_554 2.11
4 1 N A PRO 1 ? A 1_555 O A LEU 23 ? ? 3_554 2.13
#
_pdbx_entity_nonpoly.entity_id 2
_pdbx_entity_nonpoly.name water
_pdbx_entity_nonpoly.comp_id HOH
#
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