Structure of PDB 6huo Chain C Binding Site BS01

Receptor Information
>6huo Chain C (length=330) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVTVILNNLLEGYDNKLRPDIGVKPTLIHTDMYVNSIGPVNAINMEYTID
IFFAQTWYDRRLKFNSTIKVLRLNSNMVGKIWIPDTFFRNSKKADAHWIT
TPNRMLRIWNDGRVLYTLRLTIDAECQLQLHNFPMDEHSCPLEFSSYGYP
REEIVYQWKRSSVEVGDTRSWRLYQFSFVGLRNTTEVVKTTSGDYVVMSV
YFDLSRRMGYFTIQTYIPCTLIVVLSWVSFWINKDAVPARTSLGITTVLT
MTTLSTIARKSLPKVSYVTAMDLFVSVCFIFVFSALVEYGTLHYFVSNRR
IAKMDSYARIFFPTAFCLFNLVYWVSYLYL
Ligand information
Ligand ID08H
InChIInChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
InChIKeyVREFGVBLTWBCJP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl
ACDLabs 12.01Clc2cc1C(=NCc3nnc(n3c1cc2)C)c4ccccc4
CACTVS 3.370Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12
FormulaC17 H13 Cl N4
Name8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;
ALPRAZOLAM
ChEMBLCHEMBL661
DrugBankDB00404
ZINCZINC000000000903
PDB chain6huo Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6huo GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Resolution3.26 Å
Binding residue
(original residue number in PDB)		Y58 F77
Binding residue
(residue number reindexed from 1)		Y33 F52
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:6huo, PDBe:6huo, PDBj:6huo
PDBsum6huo
PubMed30602790
UniProtP18507|GBRG2_HUMAN Gamma-aminobutyric acid receptor subunit gamma-2 (Gene Name=GABRG2)

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