Structure of PDB 3bki Chain B Binding Site BS01

Receptor Information
>3bki Chain B (length=257) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLT
IVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFSK
PFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIAV
FDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQRK
PCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNKW
WYDKGEC
Ligand information
Ligand IDFQX
InChIInChI=1S/C8H4N4O4/c13-7-8(14)10-4-2-6-5(1-3(4)9-7)11-16-12(6)15/h1-2H,(H,9,13)(H,10,14)
InChIKeyGBLOKWQVACPFGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-]
CACTVS 3.341[O-][n+]1onc2cc3NC(=O)C(=O)Nc3cc12
ACDLabs 10.04[O-][n+]3onc2c3cc1NC(=O)C(=O)Nc1c2
FormulaC8 H4 N4 O4
Name[1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide
ChEMBLCHEMBL462490
DrugBank
ZINCZINC000000023110
PDB chain3bki Chain B Residue 264 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bki 6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione (ANQX) forms an irreversible bond to the active site of the GluR2 AMPA receptor.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		Y16 Y61 P89 L90 T91 R96 E193 M196 Y220
Binding residue
(residue number reindexed from 1)		Y12 Y57 P85 L86 T87 R92 E189 M192 Y216
Annotation score1
Binding affinityMOAD: ic50=7.6uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:3bki, PDBe:3bki, PDBj:3bki
PDBsum3bki
PubMed18754610
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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