Structure of PDB 8bsu Chain E Binding Site BS01

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 301 [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)		K105 P106 F107 M108 T109 L236 Q239
Binding residue
(residue number reindexed from 1)		K99 P100 F101 M102 T103 L230 Q233
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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