Structure of PDB 1p1q Chain B Binding Site BS03

Receptor Information
>1p1q Chain B (length=259) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYK
LTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTTDSGSTKEFFRRSKI
AVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKN
KWWYDKGEC
Ligand information
Ligand IDAMQ
InChIInChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyUUDAMDVQRQNNHZ-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(no1)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0Cc1c(c(no1)O)CC(C(=O)O)N
CACTVS 3.341Cc1onc(O)c1C[CH](N)C(O)=O
CACTVS 3.341Cc1onc(O)c1C[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1c(onc1O)C
FormulaC7 H10 N2 O4
Name(S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID;
AMPA
ChEMBLCHEMBL276815
DrugBankDB02057
ZINCZINC000002047472
PDB chain1p1q Chain B Residue 603 [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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PDB1p1q Tuning activation of the AMPA-sensitive GluR2 ion channel by genetic adjustment of agonist-induced conformational changes.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y61 T91 R96 G141 S142 T143 L192 E193 M196
Binding residue
(residue number reindexed from 1)		Y59 T89 R94 G139 S140 T141 L190 E191 M194
Annotation score1
Binding affinityMOAD: Kd=12.8uM
BindingDB: Ki=17nM
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:1p1q, PDBe:1p1q, PDBj:1p1q
PDBsum1p1q
PubMed12730367
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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