Structure of PDB 8bgi Chain E Binding Site BS03

Receptor Information
>8bgi Chain E (length=335) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITIFTRILDGLLDGYDNRLRPGLGERITQVRTDMYVNSFGPVSDTEMEYT
IDIFFAQTWKDERLRFKGPMQRLPLDNRVADQIWTPDTFFHNDKKSFAHG
MTTPNKMLRIWNDGRVLYTMRLTISAECPMDLEDFPMDEQNCPLKFGSYA
YPNSEVVYVWTNGSTKSVVVAEDGSRLNQYHLMGQTVGTENISTSTGEYT
IMTAHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVT
TVLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFT
KSQPARAAKIDKMSRIVFPILFGTFNLVYWATYLN
Ligand information
Ligand IDFYP
InChIInChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChIKeyOFBIFZUFASYYRE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23
ACDLabs 12.01CCOC(c3c2CN(C(c1c(ccc(c1)F)n2cn3)=O)C)=O
OpenEye OEToolkits 2.0.7CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F
FormulaC15 H14 F N3 O3
Nameethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;
Flumazenil
ChEMBLCHEMBL407
DrugBankDB01205
ZINCZINC000000001464
PDB chain8bgi Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bgi The molecular basis of drug selectivity for alpha5 subunit-containing GABA-A receptors
Resolution2.56 Å
Binding residue
(original residue number in PDB)		F103 H105 Y163 T208 S209 T210 Y213
Binding residue
(residue number reindexed from 1)		F89 H91 Y149 T194 S195 T196 Y199
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:8bgi, PDBe:8bgi, PDBj:8bgi
PDBsum8bgi
PubMed37903907
UniProtP31644|GBRA5_HUMAN Gamma-aminobutyric acid receptor subunit alpha-5 (Gene Name=GABRA5)

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