Structure of PDB 7wdb Chain A Binding Site BS01

Receptor Information
>7wdb Chain A (length=665) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIPLQIVRAETELSAEEKAFLNAVEKGDYATVKQALQEAEIYYNVNINCM
DPLGRSALLIAIENENLEIMELLLNHSVYVGDALLYAIRKEVVGAVELLL
SYQFSEFTPDITPIMLAAHTNNYEIIKLLVQKRVTIPRPHQIRCNCVECV
SSSEVDSLRHSRSRLNIYKALASPSLIALSSEDPILTAFRLGWELKELSK
VENEFKAEYEELSQQCKLFAKDLLDQARSSRELEIILNHRDDLAKLKVAI
KYHQKEFVAQPNCQQLLATLWYDGFPGWRRKHWVVKLLTCMTIGFLFPML
SIAYLISPRSNLGLFIKKPFIKFICHTASYLTFLFMLLLASQHVQGPPPT
VVEWMILPWVLGFIWGEIKEMWDGGFTEYIHDWWNLMDFAMNSLYLATIS
LKIVAYVKYNGSRPREEWEMWHPTLIAEALFAISNILSSLRLISLFTANS
HLGPLQISLGRMLLDILKFLFIYCLVLLAFANGLNQLYFYYETRAIDEPN
NCKGIRCEKQNNAFSTLFETLQSLFWSVFGLLNLYVTNVKARHEFTEFVG
ATMFGTYNVISLVVLLNMLIAMMNNSYQLIADHADIEWKFARTKLWMSYF
DEGGTLPPPFNIISLIQNQHYQEVIRNLVKRYVAAMIRNSKTTEENFKEL
KQDISSFRYEVLDLL
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(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)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain7wdb Chain A Residue 902 [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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PDB7wdb Structural identification of riluzole-binding site on human TRPC5.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y316 F364 L496 F497 N500
Binding residue
(residue number reindexed from 1)		Y272 F320 L445 F446 N449
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005262 calcium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wdb, PDBe:7wdb, PDBj:7wdb
PDBsum7wdb
PubMed35821012
UniProtQ9UL62|TRPC5_HUMAN Short transient receptor potential channel 5 (Gene Name=TRPC5)

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