Structure of PDB 1wvj Chain A Binding Site BS01

Receptor Information
>1wvj Chain A (length=262) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFK
YKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVI
DFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRS
KIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYI
EQRKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKL
KNKWWYDKGECG
Ligand information
Ligand IDIBC
InChIInChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyHJEPOXZLPHUVFE-ZETCQYMHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[C@@H](CC1=CCCCc2onc(O)c12)C(O)=O
OpenEye OEToolkits 1.5.0C1CC=C(c2c(onc2O)C1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0C1CC=C(c2c(onc2O)C1)C[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CC1=CCCCc2onc(O)c12)C(O)=O
ACDLabs 10.04O=C(O)C(N)CC2=CCCCc1onc(O)c12
FormulaC11 H14 N2 O4
Name3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE;
2-AMINO-3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]-4-ISOXAZOLYL)PROPIONIC ACID
ChEMBLCHEMBL28472
DrugBankDB04152
ZINCZINC000013494065
PDB chain1wvj Chain A Residue 1001 [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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PDB1wvj Exploring the GluR2 ligand-binding core in complex with the bicyclical AMPA analogue (S)-4-AHCP
Resolution1.75 Å
Binding residue
(original residue number in PDB)		E13 Y61 L90 T91 R96 G141 S142 T143 L192 E193 M196
Binding residue
(residue number reindexed from 1)		E13 Y61 L90 T91 R96 G141 S142 T143 L192 E193 M196
Annotation score1
Binding affinityMOAD: Ki=185nM
PDBbind-CN: -logKd/Ki=6.73,Ki=185nM
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:1wvj, PDBe:1wvj, PDBj:1wvj
PDBsum1wvj
PubMed15794751
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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