Structure of PDB 1nnk Chain A Binding Site BS02

Receptor Information
>1nnk 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 IDCE2
InChIInChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/p-1/t6-/m0/s1
InChIKeyPIXJURSCCVBKRF-LURJTMIESA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(C)c1c(c(no1)[O-])CC(C(=O)[O-])[NH3+]
ACDLabs 10.04[O-]c1noc(c1CC(C([O-])=O)[NH3+])C(C)(C)C
CACTVS 3.341CC(C)(C)c1onc([O-])c1C[CH]([NH3+])C([O-])=O
OpenEye OEToolkits 1.5.0CC(C)(C)c1c(c(no1)[O-])C[C@@H](C(=O)[O-])[NH3+]
CACTVS 3.341CC(C)(C)c1onc([O-])c1C[C@H]([NH3+])C([O-])=O
FormulaC10 H15 N2 O4
Name3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE;
(S)-ATPA;
(S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYL-ISOXAZOL-4-YL)PROPIONIC ACID
ChEMBL
DrugBankDB03319
ZINC
PDB chain1nnk Chain A Residue 454 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1nnk Three-Dimensional Structure of the Ligand-Binding Core of GluR2 in Complex with the Agonist (S)-ATPA: Implications for Receptor Subunit Selectivity.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		E10 Y58 P86 L87 T88 R93 G138 S139 T140 E190 M193 Y217
Binding residue
(residue number reindexed from 1)		E10 Y58 P86 L87 T88 R93 G138 S139 T140 E190 M193 Y217
Annotation score1
Binding affinityMOAD: ic50=3.5uM
PDBbind-CN: -logKd/Ki=5.46,IC50=3.5uM
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:1nnk, PDBe:1nnk, PDBj:1nnk
PDBsum1nnk
PubMed12593667
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

[Back to BioLiP]