Structure of PDB 4qn9 Chain B Binding Site BS04

Receptor Information
>4qn9 Chain B (length=322) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKKGKDGRFVNPWPTWKNPSIPNSSVPSSKEELDKELPVLKPYFITNPEE
AGVREAGLRVTWLGHATVMVEMDELIFLTDPIFSSRASPSQYMGPKRFRR
SPCTISELPPIDAVLISHNHYDHLDYNSVIALNERFGNELRWFVPLGLLD
WMQKCGCENVIELDWWEENCVPGHDKVTFVFTPSQHWCKRTLMDDNKVLW
GSWSVLGPWNRFFFAGDTGYCPAFEEIGKRFGPFDLAAIPIGAYEPRWFM
KYQHVDPEEAVRIHTDVQTKKSMAIHWGTFALANEHYLEPPVKLNEALER
YGLNAEDFFVLKHGESRYLNND
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4qn9 Chain B Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qn9 Structure of human N-acylphosphatidylethanolamine-hydrolyzing phospholipase D: regulation of fatty acid ethanolamide biosynthesis by bile acids.
Resolution2.652 Å
Binding residue
(original residue number in PDB)		H185 H187 H253 D284
Binding residue
(residue number reindexed from 1)		H118 H120 H186 D217
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.54: N-acetylphosphatidylethanolamine-hydrolyzing phospholipase D.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0032052 bile acid binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0070290 N-acylphosphatidylethanolamine-specific phospholipase D activity
Biological Process
GO:0001523 retinoid metabolic process
GO:0001659 temperature homeostasis
GO:0009395 phospholipid catabolic process
GO:0048874 host-mediated regulation of intestinal microbiota composition
GO:0050729 positive regulation of inflammatory response
GO:0070291 N-acylethanolamine metabolic process
GO:0070292 N-acylphosphatidylethanolamine metabolic process
GO:0090336 positive regulation of brown fat cell differentiation
Cellular Component
GO:0000139 Golgi membrane
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005769 early endosome
GO:0005794 Golgi apparatus
GO:0016020 membrane
GO:0030868 smooth endoplasmic reticulum membrane
GO:0031901 early endosome membrane
GO:0042622 photoreceptor outer segment membrane
GO:0042734 presynaptic membrane
GO:0045211 postsynaptic membrane
GO:0070062 extracellular exosome
GO:0098686 hippocampal mossy fiber to CA3 synapse
GO:0098793 presynapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4qn9, PDBe:4qn9, PDBj:4qn9
PDBsum4qn9
PubMed25684574
UniProtQ6IQ20|NAPEP_HUMAN N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D (Gene Name=NAPEPLD)

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