Structure of PDB 4f2q Chain A Binding Site BS01

Receptor Information
>4f2q 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
KPFMSLGISIMIKKGTPIESAEDLAKQTEIAYGTLASGSTKEFFRRSKIA
VYEKMWSYMKSAEPSVFTKTTADGVARVRKSKGKFAFLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGVATPKGSALGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGEC
Ligand information
Ligand IDQUS
InChIInChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
InChIKeyASNFTDCKZKHJSW-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CN1OC(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)N1C(=O)NC(=O)O1
ACDLabs 10.04O=C1NC(=O)ON1CC(N)C(=O)O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1
CACTVS 3.341N[C@@H](CN1OC(=O)NC1=O)C(O)=O
FormulaC5 H7 N3 O5
Name(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID;
QUISQUALATE
ChEMBLCHEMBL279956
DrugBankDB02999
ZINCZINC000000897456
PDB chain4f2q Chain A Residue 301 [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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PDB4f2q The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Resolution2.202 Å
Binding residue
(original residue number in PDB)		Y61 T91 R96 G141 S142 T143 E193 M196
Binding residue
(residue number reindexed from 1)		Y58 T88 R93 G138 S139 T140 E190 M193
Annotation score1
Binding affinityMOAD: Ki=0.042uM
BindingDB: Ki=>10000nM
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:4f2q, PDBe:4f2q, PDBj:4f2q
PDBsum4f2q
PubMed22512472
UniProtP19492|GRIA3_RAT Glutamate receptor 3 (Gene Name=Gria3)

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