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BioLiP

Structure of PDB 9b37 Chain A Binding Site BS01

Receptor Information
>9b37 Chain A (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 A Residue 1001 [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 L783
Binding residue
(residue number reindexed from 1)		K499 P500 F501 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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