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data_model
_entry.id model
_struct.entry_id model
_struct.title "Histidine test case"
_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/IHM-dictionary/f15a6bb/ihm-extension.dic
_audit_conform.dict_name ihm-extension.dic
_audit_conform.dict_version 1.17
#
loop_
_chem_comp.id
_chem_comp.type
_chem_comp.name
_chem_comp.formula
_chem_comp.formula_weight
ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094
HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165
HIE non-polymer "4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide" "C23 H27 F3 N4 O3" 464.481
HIP non-polymer . . 464.481
#
#
loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.details
1 polymer man 'Subunit A' 267.282 1 .
#
#
loop_
_entity_poly.entity_id
_entity_poly.type
_entity_poly.nstd_linkage
_entity_poly.nstd_monomer
_entity_poly.pdbx_strand_id
_entity_poly.pdbx_seq_one_letter_code
_entity_poly.pdbx_seq_one_letter_code_can
1 polypeptide(L) no no A AH(HIE)(HIP)A AHHHA
#
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 ALA .
1 2 HIS .
1 3 HIE .
1 4 HIP .
1 5 ALA .
#
#
loop_
_struct_asym.id
_struct_asym.entity_id
_struct_asym.details
A 1 'Subunit A'
#
#
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_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.label_entity_id
_atom_site.auth_asym_id
_atom_site.B_iso_or_equiv
_atom_site.pdbx_PDB_model_num
_atom_site.ihm_model_id
ATOM 1 C CA . ALA 1 1 ? A 1.000 2.000 3.000 . 1 A . 1 1
ATOM 2 C CA . HIS 2 2 ? A 4.000 5.000 6.000 . 1 A . 1 1
HETATM 3 C CA . HIE 3 3 ? A 7.000 8.000 9.000 . 1 A . 1 1
ATOM 4 C CA . HIP 4 4 ? A 7.000 8.000 9.000 . 1 A . 1 1
HETATM 5 C CA . ALA 5 5 ? A 1.000 2.000 3.000 . 1 A . 1 1
#
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