Structure of PDB 7wdb Chain B Binding Site BS04

Receptor Information
>7wdb Chain B (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 ID657
InChIInChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
InChIKeyFTALBRSUTCGOEG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1sc2cc(OC(F)(F)F)ccc2n1
ACDLabs 12.01c12cc(OC(F)(F)F)ccc1nc(N)s2
OpenEye OEToolkits 2.0.4c1cc2c(cc1OC(F)(F)F)sc(n2)N
FormulaC8 H5 F3 N2 O S
Name6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;
Riluzole
ChEMBLCHEMBL744
DrugBankDB00740
ZINCZINC000000006481
PDB chain7wdb Chain B Residue 905 [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)		Y374 D439 R492 L496
Binding residue
(residue number reindexed from 1)		Y330 D388 R441 L445
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

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Molecular Function
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Biological Process
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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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