Structure of PDB 4f1y Chain A Binding Site BS01

Receptor Information
>4f1y Chain A (length=258) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTIVVTTILESPYVMYKKNHEQLEGNERYEGYCVDLAYEIAKHVRIKYKL
SIVGDGKYGARDPETKIWNGMVGELVYGRADIAVAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLAKQTEIAYGTLDSGSTKEFFRRSKIA
VYEKMWSYMKSAEPSVFTKTTADGVARVRKSKGKFAFLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGVATPKGSALGNAVNLAVLKLNEQGLLDKLKNK
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 chain4f1y Chain A Residue 401 [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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PDB4f1y The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		Y61 P89 L90 T91 R96 T174 E193
Binding residue
(residue number reindexed from 1)		Y58 P86 L87 T88 R93 T171 E190
Annotation score1
Binding affinityMOAD: Kd=0.96uM
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:4f1y, PDBe:4f1y, PDBj:4f1y
PDBsum4f1y
PubMed22512472
UniProtP19492|GRIA3_RAT Glutamate receptor 3 (Gene Name=Gria3)

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