Structure of PDB 6bmn Chain B Binding Site BS03

Receptor Information
>6bmn Chain B (length=294) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LWRCCQRVVGWVPVLFITFVVVWSYYAYVVELCVFTIFGNEENGKTVVYL
VAFHLFFVMFVWSYWMTIFTSPASPSKEFYLSNSEKERYEKEFSQERQQE
ILRRAARALPIYTTSASKTIRYCEKCQLIKPDRAHHCSACDSCILKMDHH
CPWVNNCVGFSNYKFFLLFLLYSLLYCLFVAATVLEYFIKFWTNELTDTR
AKFHVLFLFFVSAMFFISVLSLFSYHCWLVGKNRTTIESFRAPTFSYGPD
GNGFSLGCSKNWRQVFGDEKKYWLLPIFSSLGDGCSFPTRLVGM
Ligand information
Ligand IDPAP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyGBBWIZKLHXYJOA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]3O
FormulaC10 H16 N5 O13 P3
Name3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE
ChEMBL
DrugBankDB01842
ZINCZINC000013527438
PDB chain6bmn Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6bmn Fatty acyl recognition and transfer by an integral membraneS-acyltransferase.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		K135 H140 H141 S143
Binding residue
(residue number reindexed from 1)		K130 H135 H136 S138
Annotation score3
Enzymatic activity
Enzyme Commision number 2.3.1.-
2.3.1.225: protein S-acyltransferase.
Gene Ontology
Molecular Function
GO:0016409 palmitoyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6bmn, PDBe:6bmn, PDBj:6bmn
PDBsum6bmn
PubMed29326245
UniProtQ5W0Z9|ZDH20_HUMAN Palmitoyltransferase ZDHHC20 (Gene Name=ZDHHC20)

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