Structure of PDB 1nnp Chain B Binding Site BS01

Receptor Information
>1nnp Chain B (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 chain1nnp Chain B Residue 1007 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nnp Three-Dimensional Structure of the Ligand-Binding Core of GluR2 in Complex with the Agonist (S)-ATPA: Implications for Receptor Subunit Selectivity.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y58 L87 T88 R93 G138 S139 T140 E190 M193
Binding residue
(residue number reindexed from 1)		Y58 L87 T88 R93 G138 S139 T140 E190 M193
Annotation score1
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:1nnp, PDBe:1nnp, PDBj:1nnp
PDBsum1nnp
PubMed12593667
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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