Structure of PDB 5mfw Chain A Binding Site BS01

Receptor Information
>5mfw Chain A (length=249) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRTLIVTTILEEPYVMYRKSDKPLYGNDRFEGYCLDLLKELSNILGFLYD
VKLVPDGKYGAQNDKGEWNGMVKELIDHRADLAVAPLTITYVREKVIDFS
KPFMTLGISILYRKGTPIDSADDLAKQTKIEYGAVRDGSTMTFFKKSKIS
TYEKMWAFMSSRQQSALVKNSDEGIQRVLTTDYALLMESTSIEYVTQRNC
NLTQIGGLIDSKGYGVGTPIGSPYRDKITIAILQLQEEGKLHMMKEKWW
Ligand information
Ligand ID7M6
InChIInChI=1S/C9H10ClFN2O2S/c10-7-1-2-8-9(5-7)16(14,15)12-6-13(8)4-3-11/h1-2,5,12H,3-4,6H2
InChIKeyPDYLKRWZXXTAQJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF
CACTVS 3.385FCCN1CN[S](=O)(=O)c2cc(Cl)ccc12
FormulaC9 H10 Cl F N2 O2 S
Name7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
ChEMBLCHEMBL581906
DrugBank
ZINCZINC000038314296
PDB chain5mfw Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mfw Identification and Structure-Function Study of Positive Allosteric Modulators of Kainate Receptors.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K531 P532 F533 M534 T535 L783
Binding residue
(residue number reindexed from 1)		K101 P102 F103 M104 T105 L233
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:5mfw, PDBe:5mfw, PDBj:5mfw
PDBsum5mfw
PubMed28360094
UniProtP22756|GRIK1_RAT Glutamate receptor ionotropic, kainate 1 (Gene Name=Grik1)

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