Structure of PDB 7dxf Chain A Binding Site BS03

Receptor Information
>7dxf Chain A (length=685) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSIEEERFLDAAEYGNIPVVRKMLEECHSLNVNCVDYMGQNALQLAVANE
HLEITELLLKKENLSRVGDALLLAISKGYVRIVEAILSHPAFAEGKRLDD
FYAYDEDGTRFSHDVTPIILAAHCQEYEIVHTLLRKGARIERPHDYFCKC
NDCNQKQKHDSFSHSRSRINAYKGLASPAYLSLSSEDPVMTALELSNELA
VLANIEKEFKNDYKKLSMQCKDFVVGLLDLCRNTEEVEAILNGDVETLQS
GDHGRPNLSRLKLAIKYEVKKFVAHPNCQQQLLSIWYENLSGLRQQTMAV
KFLVVLAVAIGLPFLALIYWFAPCSKMGKIMRGPFMKFVAHAASFTIFLG
LLVMNAADRFEGTFRMKTSCFSWMEMLIISWVIGMIWAECKEIWTQGPKE
YLFELWNMLDFGMLAIFAASFIARFMAFWHASKAQSIIDNVKYYNLARIK
WDPSDPQIISEGLYAIAVVLSFSRIAYILPANESFGPLQISLGRTVKDIF
KFMVIFIMVFVAFMIGMFNLYSYYIGAKQNEAFTTVEESFKTLFWAIFGL
SEVKSVVINYNHKFIENIGYVLYGVYNVTMVIVLLNMLIAMINSSFQEIE
DDADVEWKFARAKLWFSYFEEGRTLPVPFNLVPRQYQKIMKRLIKRYVLQ
AQIDKESDEVNEGELKEIKQDISSLRYELLEEKSQ
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 chain7dxf Chain A Residue 1003 [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]
PDB7dxf Structural mechanism of human TRPC3 and TRPC6 channel regulation by their intracellular calcium-binding sites.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		M403 F407 V410 T451 I613 N617
Binding residue
(residue number reindexed from 1)		M298 F302 V305 T346 I478 N482
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005262 calcium channel activity
GO:0005515 protein binding
GO:0015279 store-operated calcium channel activity
GO:0042803 protein homodimerization activity
GO:0070679 inositol 1,4,5 trisphosphate binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006812 monoatomic cation transport
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007338 single fertilization
GO:0032414 positive regulation of ion transmembrane transporter activity
GO:0051480 regulation of cytosolic calcium ion concentration
GO:0051928 positive regulation of calcium ion transport
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034703 cation channel complex
GO:0036057 slit diaphragm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7dxf, PDBe:7dxf, PDBj:7dxf
PDBsum7dxf
PubMed35051376
UniProtQ9Y210|TRPC6_HUMAN Short transient receptor potential channel 6 (Gene Name=TRPC6)

[Back to BioLiP]