Structure of PDB 7dxd Chain B Binding Site BS01

Receptor Information
>7dxd Chain B (length=732) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPAFMFNTSLTAEEERFLDAAEYGNIPVVRKMLEESKTLNVNCVDYMGQN
ALQLAVGNEHLEVTELLLKKENLARIGDALLLAISKGYVRIVEAILNHPG
FAASKRLTLSPCEQELQDDDFYAYDEDGTRFSPDITPIILAAHCQKYEVV
HMLLMKGARIERPHDYFCKCGDCMEKQRHDSFSHSRSRINAYKGLASPAY
LSLSSEDPVLTALELSNELAKLANIEKEFKNDYRKLSMQCKDFVVGVLDL
CRDSEEVEAILNGDASLSRVKLAIKYEVKKFVAHPNCQQQLLTIWYENLS
GLREQTIAIKCLVVLVVALGLPFLAIGYWIAPCSRLGKILRSPFMKFVAH
AASFIIFLGLLVFNASDRFEGITTLPNITVTDYPKQIFRVKTTQFTWTEM
LIMVWVLGMMWSECKELWLEGPREYILQLWNVLDFGMLSIFIAAFTARFL
AFLQATKAQQYVDSYVQESDLSEVTLPPEIQYFTYARDKWLPSDPQIISE
GLYAIAVVLSFSRIAYILPANESFGPLQISLGRTVKDIFKFMVLFIMVFF
AFMIGMFILYSYYLGAKVNAAFTTVEESFKTLFWSIFGLSEVTSVVLKYD
HKFIENIGYVLYGIYNVTMVVVLLNMLIAMINSSYQEDSDVEWKFARSKL
WLSYFDDLPPPFSLVPQPTRYQQIMKRLIKRYVLKAQVDKENDEVNEGEL
KEIKQDISSLRYELLEDKSQATEELAILIHKL
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 chain7dxd Chain B Residue 901 [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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PDB7dxd Structural mechanism of human TRPC3 and TRPC6 channel regulation by their intracellular calcium-binding sites.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		Y323 K337 V341 F371 I382 A547 N548
Binding residue
(residue number reindexed from 1)		Y296 K310 V314 F344 I355 A520 N521
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005227 calcium-activated cation channel activity
GO:0005262 calcium channel activity
GO:0005515 protein binding
GO:0015279 store-operated calcium channel activity
GO:0046872 metal ion binding
GO:0070679 inositol 1,4,5 trisphosphate binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0007338 single fertilization
GO:0007602 phototransduction
GO:0010524 positive regulation of calcium ion transport into cytosol
GO:0033198 response to ATP
GO:0051480 regulation of cytosolic calcium ion concentration
GO:0051592 response to calcium ion
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:1903244 positive regulation of cardiac muscle hypertrophy in response to stress
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034703 cation channel complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7dxd, PDBe:7dxd, PDBj:7dxd
PDBsum7dxd
PubMed35051376
UniProtQ13507|TRPC3_HUMAN Short transient receptor potential channel 3 (Gene Name=TRPC3)

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