Structure of PDB 9b37 Chain D Binding Site BS03

Receptor Information
>9b37 Chain D (length=842) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THVLRFGGIFEYVESGPMGAEELAFRFAVNTINRNRTLLPNTTLTYDTQK
INLYDSFEASKKACDQLSLGVAAIFGPSHSSSANAVQSICNALGVPHIQT
RWKHQVSDNKDSFYVSLYPDFSSLSRAILDLVQFFKWKTVTVVYDDSTGL
IRLQELIKAPSRYNLRLKIRQLPADTKDAKPLLKEMKRGKEFHVIFDCSH
EMAAGILKQALAMGMMTEYYHYIFTTLDLFALDVEPYRYSGVNMTGFRIL
NTENTQVSSIIEKWSMERLQAPPKPDSGLLDGFMTTDAALMYDAVHVVSV
AVQQFPQMTVSSLQCNRHKPWRFGTRFMSLIKEAHWEGLTGRITFNKTNG
LRTDFDLDVISLKEEGLEKIGTWDPASGLNMTESQKGKPANITDSLSNRS
LIVTTILEEPYVLFKKSDKPLYGNDRFEGYCIDLLRELSTILGFTYEIRL
VEDGKYGAQDDVNGQWNGMVRELIDHKADLAVAPLAITYVREKVIDFSKP
FMTLGISILYRKPNGTNPGVFSFLNPLSPDIWMYVLLACLGVSCVLFVIA
RFSPYEWYNPHPCNPDSDVVENNFTLLNSFWFGVGALMQQGSELMPKALS
TRIVGGIWWFFTLIIISSYTANLAAFLTVERMESPIDSADDLAKQTKIEY
GAVEDGATMTFFKKSKISTYDKMWAFMSSRRQSVLVKSNEEGIQRVLTSD
YAFLMESTTIEFVTQRNCNLTQIGGLIDSKGYGVGTPMGSPYRDKITIAI
LQLQEEGKLHMMKEKWWRGNGCPEEESKEASALGVQNIGGIFIVLAAGLV
LSVFVAVGEFLYKSKKNAQLEKRSFCSAMVEELRMSLKCQRR
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 chain9b37 Chain D Residue 1002 [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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PDB9b37 Kainate receptor channel opening and gating mechanism
Resolution6.66 Å
Binding residue
(original residue number in PDB)		K531 P532 F533 T535 L783
Binding residue
(residue number reindexed from 1)		K499 P500 F501 T503 L751
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:9b37, PDBe:9b37, PDBj:9b37
PDBsum9b37
PubMed38778115
UniProtP42260|GRIK2_RAT Glutamate receptor ionotropic, kainate 2 (Gene Name=Grik2)

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