Structure of PDB 6x3w Chain E Binding Site BS02

Receptor Information
>6x3w Chain E (length=333) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTI
DIFFAQTWYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWI
TTPNRMLRIWNDGRVLYTLRLTIDAECQLQLHNFPMDEHSCPLEFSSYGY
PREEIVYQWKRSSVEVGDTRSWRLYQFSFVGLRNTTEVVKTTSGDYVVMS
VYFDLSRRMGYFTIQTYIPCTLIVVLSWVSFWINKDAVPARTSLGITTVL
TMTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFSALVEYGTLHYFVSSQ
PARAAKMDSYARIFFPTAFCLFNLVYWVSYLYL
Ligand information
Ligand IDUQA
InChIInChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyDDBREPKUVSBGFI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCC1(C(=O)NC(=O)NC1=O)c2ccccc2
ACDLabs 12.01CCC1(C(NC(=O)NC1=O)=O)c2ccccc2
FormulaC12 H12 N2 O3
Name5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione;
Phenobarbital
ChEMBLCHEMBL40
DrugBankDB01174
ZINCZINC000095588079
PDB chain6x3w Chain E Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6x3w Shared structural mechanisms of general anaesthetics and benzodiazepines.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		V300 S301 F304
Binding residue
(residue number reindexed from 1)		V276 S277 F280
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:0006821 chloride transport
GO:0007214 gamma-aminobutyric acid signaling pathway
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:6x3w, PDBe:6x3w, PDBj:6x3w
PDBsum6x3w
PubMed32879488
UniProtP18507|GBRG2_HUMAN Gamma-aminobutyric acid receptor subunit gamma-2 (Gene Name=GABRG2)

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