Structure of PDB 8bsu Chain B Binding Site BS03

Receptor Information
>8bsu Chain B (length=247) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLIVTTLLEEPFVMFRKSDRTLYGNDRFEGYCIDLLKELAHILGFSYEIR
LVEDGKYGAQDDKGQWNGMVKELIDHKADLAVAPLTITAVREKAIDFSKP
FMTLGVSILYRKGTPIDSADDLAKQTKIEYGAVKDGATMTFFKKSKISTF
EKMWAFMSSKPSALVKNNEEGIQRTLTADYALLMESTTIEYITQRNCNLT
QIGGLIDSKGYGIGTPMGSPYRDKITIAILQLQEEDKLHIMKEKWWR
Ligand information
Ligand IDKAI
InChIInChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
InChIKeyVLSMHEGGTFMBBZ-OOZYFLPDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=C)C1CNC(C1CC(=O)O)C(=O)O
CACTVS 3.341CC(=C)[CH]1CN[CH]([CH]1CC(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C1NCC(\C(=C)C)C1CC(=O)O
OpenEye OEToolkits 1.5.0CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
CACTVS 3.341CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
FormulaC10 H15 N O4
Name3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE;
KAINATE
ChEMBLCHEMBL275040
DrugBank
ZINCZINC000003995575
PDB chain8bsu Chain B Residue 310 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bsu Positive allosteric modulation of homomeric kainate receptors GluK1-3
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E15 Y63 P90 T92 R97 G142 A143 T144 E191
Binding residue
(residue number reindexed from 1)		E9 Y57 P84 T86 R91 G136 A137 T138 E185
Annotation score1
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
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Cellular Component
External links
PDB RCSB:8bsu, PDBe:8bsu, PDBj:8bsu
PDBsum8bsu
PubMed38145505
UniProtP42264|GRIK3_RAT Glutamate receptor ionotropic, kainate 3 (Gene Name=Grik3)

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