Structure of PDB 1my2 Chain C Binding Site BS02
Receptor Information
>1my2 Chain C (length=258) Species:
10116
(Rattus norvegicus) [
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KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
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
1my2 Chain C Residue 601 [
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Receptor-Ligand Complex Structure
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PDB
1my2
Probing the function, conformational plasticity, and dimer-dimer contacts of the GluR2 ligand-binding core: studies of 5-substituted willardiines and GluR2 S1S2 in the crystal.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
Y61 L90 T91 R96 G141 S142 T143 E193
Binding residue
(residue number reindexed from 1)
Y58 L87 T88 R93 G138 S139 T140 E190
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
View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB
RCSB:1my2
,
PDBe:1my2
,
PDBj:1my2
PDBsum
1my2
PubMed
12731861
UniProt
P19491
|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)
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