Structure of PDB 3t9u Chain C Binding Site BS01

Receptor Information
>3t9u Chain C (length=258) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGCRDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDCGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGEC
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 chain3t9u Chain C Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3t9u Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		Y61 P89 L90 T91 R96 G141 S142 T174 E193 M196 Y220
Binding residue
(residue number reindexed from 1)		Y58 P86 L87 T88 R93 G138 S139 T171 E190 M193 Y217
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:3t9u, PDBe:3t9u, PDBj:3t9u
PDBsum3t9u
PubMed21846932
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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