Structure of PDB 6hup Chain B Binding Site BS01

Receptor Information
>6hup Chain B (length=336) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMSFVKETVDKLLKGYDIRLRPDFGGPPVCVGMNIDIASIDMVSEVNMDY
TLTMYFQQYWRDKRLAYSGIPLNLTLDNRVADQLWVPDTYFLNDKKSFVH
GVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIESY
GYTTDDIEFYWRGGDKAVTGVERIELPQFSIVEHRLVSRNVVFATGAYPR
LSLSFRLKRNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGITT
VLTMTTINTHLRETLPKIPYVKAIDMYLMGCFVFVFLALLEYAFVNYIFF
GRGPQRTDVNAIDRWSRIVFPFTFSLFNLVYWLYYV
Ligand information
Ligand IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain6hup 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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PDB6hup GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Resolution3.58 Å
Binding residue
(original residue number in PDB)		Y97 Y157 T202 Y205
Binding residue
(residue number reindexed from 1)		Y90 Y150 T195 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:0022851 GABA-gated chloride ion channel activity
GO:0030594 neurotransmitter receptor activity
GO:0042802 identical protein binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006821 chloride transport
GO:0007165 signal transduction
GO:0007214 gamma-aminobutyric acid signaling pathway
GO:0034220 monoatomic ion transmembrane transport
GO:0051932 synaptic transmission, GABAergic
GO:0060021 roof of mouth development
GO:0071420 cellular response to histamine
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:0034707 chloride channel complex
GO:0043005 neuron projection
GO:0043197 dendritic spine
GO:0045202 synapse
GO:0045211 postsynaptic membrane
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:6hup, PDBe:6hup, PDBj:6hup
PDBsum6hup
PubMed30602790
UniProtP28472|GBRB3_HUMAN Gamma-aminobutyric acid receptor subunit beta-3 (Gene Name=GABRB3)

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