Structure of PDB 6aei Chain A Binding Site BS01

Receptor Information
>6aei Chain A (length=642) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSAEEKAFLSAVEKGDYATVKQALQEAEIYYNVNINCMDPLGRSALLIAI
ENENLEIMELLLNHSVYVGDALLYAIRKEVVGAVELLLSQFSEFTPDITP
IMLAAHTNNYEIIKLLVQKRVTIPRPHQIDSLRHSRSRLNIYKALASPSL
IALSSEDPILTAFRLGWELKELSKVENEFKAEYEELSQQCKLFAKDLLDQ
ARSSRELEIILNHRDDLAKLKVAIKYHQKEFVAQPNCQQLLATLWYDGFP
GWRRKHWVVKLLTCMTIGFLFPMLSIAYLISPRSNLGLFIKKPFIKFICH
TASYLTFLFMLLLASQHVQGPPPTVVEWMILPWVLGFIWGEIKEMWDGGF
TEYIHDWWNLMDFAMNSLYLATISLKIVAYVKYNGSRPREEWEMWHPTLI
AEALFAISNILSSLRLISLFTANSHLGPLQISLGRMLLDILKFLFIYCLV
LLAFANGLNQLYFYYETRAIDEPNNCKGIRCEKQNNAFSTLFETLQSLFW
SVFGLLNLYVTNVKARHEFTEFVGATMFGTYNVISLVVLLNMLIAMMNNS
YQLIADHADIEWKFARTKLWMSYFDEGGTLPPPFNILIQNQHYQEVIRNL
VKRYVAAMIRNSKTNEGLTEENFKELKQDISSFRYEVLDLLG
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 chain6aei 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

[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]
PDB6aei Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function.
Resolution2.89 Å
Binding residue
(original residue number in PDB)		Y316 W322 F364 L493 L496 F497 A499 N500
Binding residue
(residue number reindexed from 1)		Y246 W252 F294 L416 L419 F420 A422 N423
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6aei, PDBe:6aei, PDBj:6aei
PDBsum6aei
PubMed31355338
UniProtQ9QX29|TRPC5_MOUSE Short transient receptor potential channel 5 (Gene Name=Trpc5)

[Back to BioLiP]