Structure of PDB 8oq7 Chain E Binding Site BS01

Receptor Information
>8oq7 Chain E (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 IDVZA
InChIInChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)
InChIKeyMFUKVPOVVKKLRQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[P](O)(=O)C1=CCNCC1
OpenEye OEToolkits 2.0.7CP(=O)(C1=CCNCC1)O
FormulaC6 H12 N O2 P
Namemethyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid;
1,2,5,6-Tetrahydropyridin-4-yl)methylphosphinic acid;
TPMPA
ChEMBLCHEMBL397209
DrugBankDB16754
ZINCZINC000025720700
PDB chain8oq7 Chain E Residue 502 [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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PDB8oq7 Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E217 Y219 Y262 T265 Y268
Binding residue
(residue number reindexed from 1)		E144 Y146 Y189 T192 Y195
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:8oq7, PDBe:8oq7, PDBj:8oq7
PDBsum8oq7
PubMed37659407
UniProtP24046|GBRR1_HUMAN Gamma-aminobutyric acid receptor subunit rho-1 (Gene Name=GABRR1)

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