Structure of PDB 2aix Chain A Binding Site BS01

Receptor Information
>2aix 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 IDU1K
InChIInChI=1S/C10H16N2O3S/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)/t6-/m0/s1
InChIKeyFHWOAQCPEFTDOQ-LURJTMIESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(C)c1c(c(ns1)[O-])C[C@@H](C(=O)O)[NH3+]
CACTVS 3.341CC(C)(C)c1snc([O-])c1C[CH]([NH3+])C(O)=O
ACDLabs 10.04[O-]c1nsc(c1CC(C(=O)O)[NH3+])C(C)(C)C
CACTVS 3.341CC(C)(C)c1snc([O-])c1C[C@H]([NH3+])C(O)=O
OpenEye OEToolkits 1.5.0CC(C)(C)c1c(c(ns1)[O-])CC(C(=O)O)[NH3+]
FormulaC10 H16 N2 O3 S
Name(S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID;
THIO-ATPA
ChEMBLCHEMBL29024
DrugBankDB04798
ZINCZINC000000008933
PDB chain2aix Chain A Residue 261 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2aix Probing the Ligand Binding Domain of the Glur2 Receptor by Proteolysis and Deletion Mutagenesis Defines Domain Boundaries and Yields a Crystallizable Construct.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		E10 Y58 P86 L87 T88 R93 G138 S139 T140 L189 E190 M193
Binding residue
(residue number reindexed from 1)		E10 Y58 P86 L87 T88 R93 G138 S139 T140 L189 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:2aix, PDBe:2aix, PDBj:2aix
PDBsum2aix
PubMed
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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