Structure of PDB 8fwu Chain D Binding Site BS01

Receptor Information
>8fwu Chain D (length=420) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSLIVTTILEEPYVLFKKSDKPLYGNDRFEGYCIDLLRELSTILGFTYEI
RLVEDGKYGAQDDVNGQWNGMVRELIDHKADLAVAPLAITYVREKVIDFS
KPFMTLGISILYRKPNGTNPGVFSFLNPLSPDIWMYVLLACLGVSCVLFV
IARFSPYEWYNPHPCNPDSDVVENNFTLLNSFWFGVGALMQQGSELMPKA
LSTRIVGGIWWFFTLIIISSYTANLAAFLTVERMESPIDSADDLAKQTKI
EYGAVEDGATMTFFKKSKISTYDKMWAFMSSRRQSVLVKSNEEGIQRVLT
SDYAFLMESTTIEFVTQRNCNLTQIGGLIDSKGYGVGTPMGSPYRDKITI
AILQLQEEGKLHMMKEKWWRGNGCPEEESKEASALGVQNIGGIFIVLAAG
LVLSVFVAVGEFLYKSKKNA
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 chain8fwu Chain D Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8fwu Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Resolution3.18 Å
Binding residue
(original residue number in PDB)		P532 T535 S761 K762 G763
Binding residue
(residue number reindexed from 1)		P102 T105 S331 K332 G333
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0015276 ligand-gated monoatomic ion channel activity
GO:0038023 signaling receptor activity
Biological Process
GO:0006811 monoatomic ion transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8fwu, PDBe:8fwu, PDBj:8fwu
PDBsum8fwu
PubMed36857176
UniProtP42260|GRIK2_RAT Glutamate receptor ionotropic, kainate 2 (Gene Name=Grik2)

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