Structure of PDB 7qnd Chain E Binding Site BS01

Receptor Information
>7qnd Chain E (length=324) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPNLDGLIAGYARNFRPGIGGPPVNVALALEVASIDHISEANMEYTMTVF
LHQSWRDSRLSYNHTNETLGLDSRFVDKLWLPDTFIVNAKSAWFHDVTVE
NKLIRLQPDGVILYSIRITSTVACDMDLAKYPMDEQECMLDLESYGYSSE
DIVYYWSESQEHIHGLDKLQLAQFTITSYRFTTELMNFKSAGQFPRLSLH
FHLRRNRGVYIIQSYMPSVLLVAMSWVSFWISQAAVPARVSLGITTVLTM
TTLMVSARSSLPRASAIKALDVYFWICYVFVFAALVEYAFAHFNADADTI
DIYARAVFPAAFAAVNVIYWAAYA
Ligand information
Ligand IDEI7
InChIInChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
InChIKeyZXRVKCBLGJOCEE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CNCC2=C1C(=O)NO2
CACTVS 3.385O=C1NOC2=C1CCNC2
FormulaC6 H8 N2 O2
Name4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one;
gaboxadol
ChEMBLCHEMBL312443
DrugBankDB06554
ZINCZINC000019795995
PDB chain7qnd Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qnd Differential assembly diversifies GABA A receptor structures and signalling.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		Y185 K229 F234
Binding residue
(residue number reindexed from 1)		Y145 K189 F194
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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Cellular Component
External links
PDB RCSB:7qnd, PDBe:7qnd, PDBj:7qnd
PDBsum7qnd
PubMed35355020
UniProtO14764|GBRD_HUMAN Gamma-aminobutyric acid receptor subunit delta (Gene Name=GABRD)

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