Structure of PDB 3b7d Chain B Binding Site BS01

Receptor Information
>3b7d Chain B (length=258) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
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 chain3b7d Chain B Residue 262 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3b7d TARP auxiliary subunits switch AMPA receptor antagonists into partial agonists.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y61 P89 T91 R96 E193
Binding residue
(residue number reindexed from 1)		Y58 P86 T88 R93 E190
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3b7d, PDBe:3b7d, PDBj:3b7d
PDBsum3b7d
PubMed17975069
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

[Back to BioLiP]