Structure of PDB 8bsu Chain E Binding Site BS02

Receptor Information
>8bsu Chain E (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 ID2J9
InChIInChI=1S/C10H11FN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-5,8,12H,2-3,6H2
InChIKeyFLTMTBPCYAZIKM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Fc1ccc2c(c1)S(=O)(=O)NCN2C3CC3
CACTVS 3.385Fc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3
OpenEye OEToolkits 1.7.6c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3
FormulaC10 H11 F N2 O2 S
Name4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
ChEMBLCHEMBL2441067
DrugBank
ZINCZINC000095921421
PDB chain8bsu Chain E Residue 302 [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)		P106 S214 K215 G216
Binding residue
(residue number reindexed from 1)		P100 S208 K209 G210
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:8bsu, PDBe:8bsu, PDBj:8bsu
PDBsum8bsu
PubMed38145505
UniProtP42264|GRIK3_RAT Glutamate receptor ionotropic, kainate 3 (Gene Name=Grik3)

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