Structure of PDB 3b7d Chain D Binding Site BS01

Receptor Information
>3b7d Chain D (length=259) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYK
LTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKI
AVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKN
KWWYDKGEC
Ligand information
Ligand IDCNI
InChIInChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H
InChIKeyIAWXTSMHXFRLQR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[O-][N+](=O)C=1C(C#N)=CC2=NC(=O)C(=O)N=C2C=1
CACTVS 3.341[O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1C#N
OpenEye OEToolkits 1.5.0C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N
FormulaC9 H2 N4 O4
Name7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile
ChEMBLCHEMBL9790
DrugBank
ZINCZINC000084403475
PDB chain3b7d Chain D Residue 262 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b7d TARP auxiliary subunits switch AMPA receptor antagonists into partial agonists.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y61 P89 L90 T91 R96 T174 E193 Y220
Binding residue
(residue number reindexed from 1)		Y59 P87 L88 T89 R94 T172 E191 Y218
Annotation score1
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:3b7d, PDBe:3b7d, PDBj:3b7d
PDBsum3b7d
PubMed17975069
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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