Structure of PDB 6cud Chain D Binding Site BS01

Receptor Information
>6cud Chain D (length=704) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSLTAEEERFLDAAEYGNIPVVRKMLEESKTLNVNCVDYMGQNALQLAVG
NEHLEVTELLLKKENLARIGDALLLAISKGYVRIVEAILNHPGFAASKRL
TLSPCEQELQDDDFYAYDEDGTRFSPDITPIILAAHCQKYEVVHMLLMKG
ARIERPHDYFCKCGDCMEKQRHDSFSHSRSRINAYKGLASPAYLSLSSED
PVLTALELSNELAKLANIEKEFKNDYRKLSMQCKDFVVGVLDLCRDSEEV
EAILNGDLEASLSRVKLAIKYEVKKFVAHPNCQQQLLTIWYENLSGLREQ
TIAIKCLVVLVVALGLPFLAIGYWIAPCSRLGKILRSPFMKFVAHAASFI
IFLGLLVFNASDRFEGITTLPNITVTDYPKQIFRVKTTQFTWTEMLIMVW
VLGMMWSECKELWLEGPREYILQLWNVLDFGMLSIFIAAFTARFLAFLQA
TKAQQYVDSYVQESDLSEVTLPPEIQYFTYARDKWLPSDPQIISEGLYAI
AVVLSFSRIAYILPANESFGPLQISLGRTVKDIFKFMVLFIMVFFAFMIG
MFILYSYYLGAKVNAAFTTVEESFKTLFWSIFGLSEVTSVVLKYDHKFIE
NIGYVLYGIYNVTMVVVLLNMLIAMINSSYQEIEDDSDVEWKFARSKLWL
SYFDDNQPTRYQQIMKRLIKRYVLKAQVDKENDEVNEGELKEIKQDISSL
RYEL
Ligand information
Ligand IDFGJ
InChIInChI=1S/C15H28O5/c1-3-5-7-9-14(17)19-12-13(11-16)20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyDRUFTGMQJWWIOL-CYBMUJFWSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(CCCC)C(OCC(CO)OC(=O)CCCCC)=O
CACTVS 3.385CCCCCC(=O)OC[CH](CO)OC(=O)CCCCC
OpenEye OEToolkits 2.0.6CCCCCC(=O)OCC(CO)OC(=O)CCCCC
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC
FormulaC15 H28 O5
Name(2R)-3-hydroxypropane-1,2-diyl dihexanoate
ChEMBL
DrugBank
ZINCZINC000005820130
PDB chain6cud Chain A Residue 902 [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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PDB6cud Structure of the human lipid-gated cation channel TRPC3.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		N633 I641
Binding residue
(residue number reindexed from 1)		N601 I609
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:6cud, PDBe:6cud, PDBj:6cud
PDBsum6cud
PubMed29726814
UniProtQ13507|TRPC3_HUMAN Short transient receptor potential channel 3 (Gene Name=TRPC3)

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