Structure of PDB 6x3x Chain A Binding Site BS02

Receptor Information
>6x3x Chain A (length=334) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNMSLVKETVDRLLKGYDIRLRPDFGGPPVAVGMNIDIASIDMVSEVNMD
YTLTMYFQQAWRDKRLSYNVIPLNLTLDNRVADQLWVPDTYFLNDKKSFV
HGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIES
YGYTTDDIEFYWRGDDNAVTGVTKIELPQFSIVDYKLITKKVVFSTGSYP
RLSLSFKLKRNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGIT
TVLTMTTINTHLRETLPKIPYVKAIDMYLMGCFVFVFMALLEYALVNYIF
FSQPARAAAIDRWSRIFFPVVFSFFNIVYWLYYV
Ligand information
Ligand IDDZP
InChIInChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyAAOVKJBEBIDNHE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl
CACTVS 3.341CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
ACDLabs 10.04Clc3cc1c(N(C(=O)CN=C1c2ccccc2)C)cc3
FormulaC16 H13 Cl N2 O
Name7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
ChEMBLCHEMBL12
DrugBankDB00829
ZINCZINC000000006427
PDB chain6x3x Chain A Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6x3x Shared structural mechanisms of general anaesthetics and benzodiazepines.
Resolution2.92 Å
Binding residue
(original residue number in PDB)		M261 T262 N265 L285 F289
Binding residue
(residue number reindexed from 1)		M255 T256 N259 L279 F283
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:6x3x, PDBe:6x3x, PDBj:6x3x
PDBsum6x3x
PubMed32879488
UniProtP47870|GBRB2_HUMAN Gamma-aminobutyric acid receptor subunit beta-2 (Gene Name=GABRB2)

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