Structure of PDB 6x3v Chain C Binding Site BS02

Receptor Information
>6x3v Chain C (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 IDV8D
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKeyNPUKDXXFDDZOKR-LLVKDONJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCOC(=O)c1cncn1[CH](C)c2ccccc2
OpenEye OEToolkits 2.0.7CCOC(=O)c1cncn1C(C)c2ccccc2
ACDLabs 12.01C(C)(n1c(cnc1)C(OCC)=O)c2ccccc2
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCOC(=O)c1cncn1[C@H](C)c2ccccc2
FormulaC14 H16 N2 O2
NameEtomidate
ChEMBLCHEMBL681
DrugBankDB00292
ZINCZINC000000001408
PDB chain6x3v Chain C Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6x3v Shared structural mechanisms of general anaesthetics and benzodiazepines.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		N265 M286 F289
Binding residue
(residue number reindexed from 1)		N259 M280 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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Cellular Component
External links
PDB RCSB:6x3v, PDBe:6x3v, PDBj:6x3v
PDBsum6x3v
PubMed32879488
UniProtP47870|GBRB2_HUMAN Gamma-aminobutyric acid receptor subunit beta-2 (Gene Name=GABRB2)

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