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BioLiP

Structure of PDB 6kzp Chain A Binding Site BS05

Receptor Information
>6kzp Chain A (length=1014) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPWFERISMLVILLNCVTLGMFRPCEDIACDSQRCRILQAFDDFIFAFFA
VEMVVKMVAGDTWNRLDFFIVIAGMLEYSLDLQNVSFSAVRTVRVLRPLR
AINRVPSMRILVTLLLDTLPMLGNVLLLCFFVFFIFGIVGVQLWAGLLRN
RCFLPENFSLPLSVDLERYYQTENEDESPFICSQPRENGMRSCRSVPTLR
CVNWNQYYTNCSAGEHNPFKGAINFDNIGYAWIAIFQVITLEGWVDIMYF
VMDAHSFYNFIYFILLIIVGSFFMINLCLVVIATQFSETKQREIVDSKYF
GRGIMIAILVNTLSMGIEYHEQPEELTNALEISNIVFTSLFALEMLLKLL
VYGPFGYIKNPYNIFDGVIVVISVWEIVSVLRTFRLMRVLKLVRFLPALQ
RQLVVLMKTMDNVATFCMLLMLFIFIFSILGMHLFGCKFASLPDRKNFDS
LLWAIVTVFQILTQEDWNKVLYNGMASTSSWAALYFIALMTFGNYVLFNL
LVAILVEGFQFRLLCHRIITHKMFDHVVLVIIFLNCITIAMERPKIDPHS
AERIFLTLSNYIFTAVFLAEMTVKVVALGSSWNVLDGLLVLISVIDILVS
MVSKILGMLRVLRLLRTLRPLRVISRAQGLKLVVETLMSSLKPIGNIVVI
CCAFFIIFGILGVQLFKGKFFVCQGEDTRNITNKSDCAEASYRWVRHKYN
FDNLGQALMSLFVLASKDGWVDIMYDGLDAVGVDQQPIMNHNPWMLLYFI
SFLLIVAFFVLNMFVGVVVENFHYLDLFITGVIGLNVVTMAMEHYQQPQI
LDEALKICNYIFTVIFVLESVFKLVAFGFRRFFQDRWNQLDLAIVLLSIM
GITLEEIEVNASLPINPTIIRIMRVLRIARVLKLLKMAVGMRALLDTVMQ
ALPQVGNLGLLFMLLFFIFAALGVELFGDLECDETHPCEGLGRHATFRNF
GMAFLTLFRVSTGDNWNGIMKDTLRDYNTVISPIYFVSFVLTAQFVLVNV
VIAVLMKHLEESNK
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 chain6kzp Chain A Residue 2318 [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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PDB6kzp Cryo-EM structures of apo and antagonist-bound human Cav3.1.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		F225 V228 E276 H367 S368 N371
Binding residue
(residue number reindexed from 1)		F136 V139 E187 H255 S256 N259
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005245 voltage-gated calcium channel activity
GO:0005261 monoatomic cation channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0005891 voltage-gated calcium channel complex
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:6kzp, PDBe:6kzp, PDBj:6kzp
PDBsum6kzp
PubMed31766050
UniProtO43497|CAC1G_HUMAN Voltage-dependent T-type calcium channel subunit alpha-1G (Gene Name=CACNA1G)

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