Structure of PDB 1m5e Chain C Binding Site BS02

Receptor Information
>1m5e 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
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGEC
Ligand information
Ligand IDAM1
InChIInChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)
InChIKeyJDNMYUBSFDGCSX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(no1)C(=O)O)CC(C(=O)O)N
ACDLabs 10.04O=C(O)c1noc(c1CC(C(=O)O)N)C
CACTVS 3.341Cc1onc(C(O)=O)c1CC(N)C(O)=O
FormulaC8 H10 N2 O5
Name(S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID;
ACPA
ChEMBLCHEMBL12442
DrugBank
ZINC
PDB chain1m5e Chain C Residue 1702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1m5e Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
Resolution1.46 Å
Binding residue
(original residue number in PDB)		Y61 P89 L90 T91 R96 G141 S142 T143 E193
Binding residue
(residue number reindexed from 1)		Y58 P86 L87 T88 R93 G138 S139 T140 E190
Annotation score1
Binding affinityMOAD: ic50=20.1nM
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:1m5e, PDBe:1m5e, PDBj:1m5e
PDBsum1m5e
PubMed12215417
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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