Structure of PDB 8p90 Chain A Binding Site BS07

Receptor Information
>8p90 Chain A (length=332) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKKGKDGRFVNPWPTWKNPSIPNVLRWLIMEKDHSSVPSSKEELDKELPV
LKPYFITNPEEAGVREAGLRVTWLGHATVMVEMDELIFLTDPIFSSRASP
SQYMGPKRFRRSPCTISELPPIDAVLISHNHYDHLDYNSVIALNERFGNE
LRWFVPLGLLDWMQKCGCENVIELDWWEENCVPGHDKVTFVFTPSQHWCK
RTLMDDNKVLWGSWSVLGPWNRFFFAGDTGYCPAFEEIGKRFGPFDLAAI
PIGAYEPRWFMKYQHVDPEEAVRIHTDVQTKKSMAIHWGTFALANEHYLE
PPVKLNEALERYGLNAEDFFVLKHGESRYLNN
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain8p90 Chain A Residue 409 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8p90 TARGET COMPLEX 2
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S151 S152
Binding residue
(residue number reindexed from 1)		S95 S96
Annotation score1
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:8p90, PDBe:8p90, PDBj:8p90
PDBsum8p90
PubMed
UniProtQ6IQ20|NAPEP_HUMAN N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D (Gene Name=NAPEPLD)

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