Structure of PDB 8pc4 Chain B Binding Site BS06

Receptor Information
>8pc4 Chain B (length=334) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSKKGKDGRFVNPWPTWKNPSIPNVLRWLIMEKDHSSVPSSKEELDKELP
VLKPYFITNPEEAGVREAGLRVTWLGHATVMVEMDELIFLTDPIFSSRAS
PSQYMGPKRFRRSPCTISELPPIDAVLISHNHYDHLDYNSVIALNERFGN
ELRWFVPLGLLDWMQKCGCENVIELDWWEENCVPGHDKVTFVFTPSQHWC
KRTLMDDNKVLWGSWSVLGPWNRFFFAGDTGYCPAFEEIGKRFGPFDLAA
IPIGAYEPRWFMKYQHVDPEEAVRIHTDVQTKKSMAIHWGTFALANEHYL
EPPVKLNEALERYGLNAEDFFVLKHGESRYLNND
Ligand information
Ligand IDHCZ
InChIInChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChIKeyJZUFKLXOESDKRF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2
ACDLabs 11.02O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N
CACTVS 3.352N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl
FormulaC7 H8 Cl N3 O4 S2
Name6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
ChEMBLCHEMBL435
DrugBankDB00999
ZINCZINC000000896569
PDB chain8pc4 Chain B Residue 608 [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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PDB8pc4 MEMBRANE TARGET COMPLEX 1
Resolution2.85 Å
Binding residue
(original residue number in PDB)		S151 S152
Binding residue
(residue number reindexed from 1)		S96 S97
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:8pc4, PDBe:8pc4, PDBj:8pc4
PDBsum8pc4
PubMed
UniProtQ6IQ20|NAPEP_HUMAN N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D (Gene Name=NAPEPLD)

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