Structure of PDB 1p1w Chain B Binding Site BS01
Receptor Information
>1p1w Chain B (length=258) Species:
10116
(Rattus norvegicus) [
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KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITYVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTTDSGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGEC
Ligand information
Ligand ID
AMQ
InChI
InChI=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
InChIKey
UUDAMDVQRQNNHZ-YFKPBYRVSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
Cc1c(c(no1)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0
Cc1c(c(no1)O)CC(C(=O)O)N
CACTVS 3.341
Cc1onc(O)c1C[CH](N)C(O)=O
CACTVS 3.341
Cc1onc(O)c1C[C@H](N)C(O)=O
ACDLabs 10.04
O=C(O)C(N)Cc1c(onc1O)C
Formula
C7 H10 N2 O4
Name
(S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID;
AMPA
ChEMBL
CHEMBL276815
DrugBank
DB02057
ZINC
ZINC000002047472
PDB chain
1p1w Chain B Residue 427 [
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Receptor-Ligand Complex Structure
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PDB
1p1w
Tuning activation of the AMPA-sensitive GluR2 ion channel by genetic adjustment of agonist-induced conformational changes.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
Y61 L90 T91 R96 G141 S142 T143 L192 E193 M196 Y220
Binding residue
(residue number reindexed from 1)
Y58 L87 T88 R93 G138 S139 T140 L189 E190 M193 Y217
Annotation score
1
Binding affinity
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
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Molecular Function
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Cellular Component
External links
PDB
RCSB:1p1w
,
PDBe:1p1w
,
PDBj:1p1w
PDBsum
1p1w
PubMed
12730367
UniProt
P19491
|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)
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