Structure of PDB 1m5b Chain A Binding Site BS02

Receptor Information
>1m5b 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]
KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGEC
Ligand information
Ligand IDBN1
InChIInChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)
InChIKeyYXLQKZHKWIKJKC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)C
CACTVS 3.341Cn1nnc(n1)c2onc(O)c2CC(N)C(O)=O
OpenEye OEToolkits 1.5.0Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N
FormulaC8 H10 N6 O4
Name(S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID;
2-ME-TET-AMPA
ChEMBLCHEMBL94859
DrugBank
ZINC
PDB chain1m5b Chain A Residue 2100 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1m5b Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Y61 P89 L90 T91 R96 L138 G141 S142 T143 E193 M196 Y220
Binding residue
(residue number reindexed from 1)		Y58 P86 L87 T88 R93 L135 G138 S139 T140 E190 M193 Y217
Annotation score1
Binding affinityMOAD: ic50=9.7nM
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:1m5b, PDBe:1m5b, PDBj:1m5b
PDBsum1m5b
PubMed12215417
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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