Structure of PDB 7e4t Chain A Binding Site BS01

Receptor Information
>7e4t Chain A (length=664) 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
SIAYLISPRSNLGLFIKKPFIKFICHTASYLTFLFMLLLASQDLHVQGPP
PTVVEWMILPWVLGFIWGEIKEMWDGGFTEYIHDWWNLMDFAMNSLYLAT
ISLKIVAYVKYNGSRPREEWEMWHPTLIAEALFAISNILSSLRLISLFTA
NSHLGPLQISLGRMLLDILKFLFIYCLVLLAFANGLNQLYFYYETRAIDE
PNNCKGIRCEKQNNAFSTLFETLQSLFWSVFGLLNLYVTNVKARHEFTEF
VGATMFGTYNVISLVVLLNMLIAMMNNSYQLIADHADIEWKFARTKLWMS
YFDEGGTLPPPFNIISLIQNQHYQEVIRNLVKRYVAAMIRNTEENFKELK
QDISSFRYEVLDLL
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 chain7e4t Chain A Residue 803 [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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PDB7e4t Structural basis for human TRPC5 channel inhibition by two distinct inhibitors.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Y316 F364 F497 A499 N500
Binding residue
(residue number reindexed from 1)		Y272 F320 F448 A450 N451
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:7e4t, PDBe:7e4t, PDBj:7e4t
PDBsum7e4t
PubMed33683200
UniProtQ9UL62|TRPC5_HUMAN Short transient receptor potential channel 5 (Gene Name=TRPC5)

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