Structure of PDB 6huo Chain D Binding Site BS01

Receptor Information
>6huo Chain D (length=343) Species: 9606,9913 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVFTRILDRLLDGYDNRLRPGLGERVTEVKTDIFVTSFGPVSDHDMEYTI
DVFFRQSWKDERLKFKGPMTVLRLNNLMASKIWTPDTFFHNGKKSVAHNM
TMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHACPLKFGSYAY
TRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIVQSSTGEYVV
MTTHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFGVTT
VLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNYFTK
RGYAWDGKKTFNSVSKIDRLSRIAFPLLFGIFNLVYWATYLNR
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
Global viewLocal viewStructure summary

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PDB6huo GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Resolution3.26 Å
Binding residue
(original residue number in PDB)		F100 H102 Q204 S205 Y210
Binding residue
(residue number reindexed from 1)		F88 H90 Q192 S193 Y198
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
GO:0005254 chloride channel activity
GO:0008503 benzodiazepine receptor activity
GO:0022851 GABA-gated chloride 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
GO:0051932 synaptic transmission, GABAergic
GO:0060078 regulation of postsynaptic membrane potential
GO:1902476 chloride transmembrane transport
GO:1904862 inhibitory synapse assembly
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030659 cytoplasmic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0032590 dendrite membrane
GO:0034707 chloride channel complex
GO:0043005 neuron projection
GO:0045202 synapse
GO:0045211 postsynaptic membrane
GO:0098794 postsynapse
GO:0099634 postsynaptic specialization membrane
GO:1902495 transmembrane transporter complex
GO:1902711 GABA-A receptor complex

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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
UniProtP08219|GBRA1_BOVIN Gamma-aminobutyric acid receptor subunit alpha-1 (Gene Name=GABRA1);
P14867|GBRA1_HUMAN Gamma-aminobutyric acid receptor subunit alpha-1 (Gene Name=GABRA1)

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