Structure of PDB 8dd2 Chain C Binding Site BS02

Receptor Information
>8dd2 Chain C (length=334) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNMSLVKETVDRLLKGYDIRLRPDFGGPPVAVGMNIDIASIDMVSEVNMD
YTLTMYFQQAWRDKRLSYNVIPLNLTLDNRVADQLWVPDTYFLNDKKSFV
HGVTVKNRMIRLHPDGTVLYGLRITTTAACMMDLRRYPLDEQNCTLEIES
YGYTTDDIEFYWRGDDNAVTGVTKIELPQFSIVDYKLITKKVVFSTGSYP
RLSLSFKLKRNIGYFILQTYMPSILITILSWVSFWINYDASAARVALGIT
TVLTMTTINTHLRETLPKIPYVKAIDMYLMGCFVFVFMALLEYALVNYIF
FSQPARAAAIDRWSRIFFPVVFSFFNIVYWLYYV
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 chain8dd2 Chain C Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dd2 Structural and dynamic mechanisms of GABA A receptor modulators with opposing activities.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		Y97 E155 S156 Y157 F200 T202
Binding residue
(residue number reindexed from 1)		Y91 E149 S150 Y151 F194 T196
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: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:8dd2, PDBe:8dd2, PDBj:8dd2
PDBsum8dd2
PubMed35933426
UniProtP47870|GBRB2_HUMAN Gamma-aminobutyric acid receptor subunit beta-2 (Gene Name=GABRB2)

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