Structure of PDB 8r36 Chain A Binding Site BS02

Receptor Information
>8r36 Chain A (length=254) 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
NLTQIGGLIDSKGYGVGTPIGSPYRDKITIAILQLQEEGKLHMMKEKWWR
GNGC
Ligand information
Ligand ID9TE
InChIInChI=1S/C17H18N2O4S/c1-22-13-3-2-4-14(9-13)23-15-7-8-16-17(10-15)24(20,21)18-11-19(16)12-5-6-12/h2-4,7-10,12,18H,5-6,11H2,1H3
InChIKeyCTMHATKTIDUKBM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4
CACTVS 3.385COc1cccc(Oc2ccc3N(CN[S](=O)(=O)c3c2)C4CC4)c1
FormulaC17 H18 N2 O4 S
Name4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
ChEMBLCHEMBL4091984
DrugBank
ZINC
PDB chain8r36 Chain B Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8r36 Crystal structure of the GluK1 ligand-binding domain with kainate and the full-spanning positive allosteric modulator BPAM538.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K531 P532 F533 M534 T535 S761 K762 L783 Q786
Binding residue
(residue number reindexed from 1)		K101 P102 F103 M104 T105 S211 K212 L233 Q236
Annotation score1
External links
PDB RCSB:8r36, PDBe:8r36, PDBj:8r36
PDBsum8r36
PubMed39079583
UniProtP22756|GRIK1_RAT Glutamate receptor ionotropic, kainate 1 (Gene Name=Grik1)

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