Structure of PDB 9b37 Chain A Binding Site BS04

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 IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain9b37 Chain A Residue 1008 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB9b37 Kainate receptor channel opening and gating mechanism
Resolution6.66 Å
Binding residue
(original residue number in PDB)		Y587 L631
Binding residue
(residue number reindexed from 1)		Y555 L599
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)

[Back to BioLiP]