Structure of PDB 8oq6 Chain C Binding Site BS01

Receptor Information
>8oq6 Chain C (length=336) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSEQLLRIDDHDFSMRPGFGGPAIPVGVDVQVESLDSISEVDMDFTMTLY
LRHYWKDERLSFPSTNNLSMTFDGRLVKKIWVPDMFFVHSKRSFIHDTTT
DNVMLRVQPDGKVLYSLRVTVTAMCNMDFSRFPLDTQTCSLEIESYAYTE
DDLMLYWKKGNDSLKTDERISLSQFLIQEFHTTTKLAFYSSTGWYNRLYI
NFTLRRHIFFFLLQTYFPATLMVMLSWVSFWIDRRAVPARVPLGITTVLT
MSTIITGVNASMPRVSYIKAVDIYLWVSFVFVFLSVLEYAAVNYLTTVQE
RKEQKLRDTHAIDKYSRIIFPAAYILFNLIYWSIFS
Ligand information
Ligand ID7P9
InChIInChI=1S/C19H37O8P/c1-3-5-7-9-10-12-14-19(21)27-17(16-26-28(22,23)24)15-25-18(20)13-11-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1
InChIKeyXKPYMIOWFWFMRM-QGZVFWFLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P](O)(O)=O
ACDLabs 12.01O=C(OC(COP(=O)(O)O)COC(=O)CCCCCC)CCCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(=O)(O)O
OpenEye OEToolkits 1.9.2CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O
CACTVS 3.385CCCCCCCCC(=O)O[CH](COC(=O)CCCCCC)CO[P](O)(O)=O
FormulaC19 H37 O8 P
Name[(2R)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate
ChEMBL
DrugBank
ZINCZINC000098208577
PDB chain8oq6 Chain C Residue 507 [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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PDB8oq6 Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Resolution3.21 Å
Binding residue
(original residue number in PDB)		I341 F470
Binding residue
(residue number reindexed from 1)		I268 F327
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0004890 GABA-A receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8oq6, PDBe:8oq6, PDBj:8oq6
PDBsum8oq6
PubMed37659407
UniProtP24046|GBRR1_HUMAN Gamma-aminobutyric acid receptor subunit rho-1 (Gene Name=GABRR1)

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