Structure of PDB 6hup Chain A Binding Site BS02

Receptor Information

>6hup Chain A (length=344) 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
RGYAWDGKSKTFNSVSKIDRLSRIAFPLLFGIFNLVYWATYLNR

Ligand information

Ligand ID

ABU

InChI

InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

InChIKey

BTCSSZJGUNDROE-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.370	NCCCC(O)=O
ACDLabs 12.01	O=C(O)CCCN
OpenEye OEToolkits 1.7.0	C(CC(=O)O)CN

Formula

C4 H9 N O2

Name

GAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID

PDB chain

6hup Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6hup GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Resolution	3.58 Å
Binding residue (original residue number in PDB)	R67 T130
Binding residue (residue number reindexed from 1)	R55 T118
Annotation score	1

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:0016917	GABA receptor activity
GO:0022851	GABA-gated chloride ion channel activity
GO:1904315	transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential

	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:0043197	dendritic spine
GO:0045202	synapse
GO:0045211	postsynaptic membrane
GO:0098794	postsynapse
GO:0098982	GABA-ergic synapse
GO:0099634	postsynaptic specialization membrane
GO:1902495	transmembrane transporter complex
GO:1902710	GABA receptor complex
GO:1902711	GABA-A receptor complex

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Molecular Function

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Cellular Component

External links

PDB	RCSB:6hup, PDBe:6hup, PDBj:6hup
PDBsum	6hup
PubMed	30602790
UniProt	P08219\|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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