Structure of PDB 7wll Chain A Binding Site BS05

Receptor Information
>7wll Chain A (length=1135) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSPRNWCIKMVCNPWFECVSMLVILLNCVTLGMYQPCDDMDCLSDRCKIL
QVFDDFIFIFFAMEMVLKMVALGIFGKKCYLGDTWNRLDFFIVMAGMVEY
SLDLQNINLSAIRTVRVLRPLKAINRVPSMRILVNLLLDTLPMLGNVLLL
CFFVFFIFGIIGVQLWAGLLRNRCFLEENFTIQGDVALPPYYQPEEDDEM
PFICSLSGDNGIMGCHEIPPLKCVNWNRYYNVCRTGSANPHKGAINFDNI
GYAWIVIFQVITLEGWVEIMYYVMDAHSFYNFIYFILLIIVGSFFMINLC
LVVIATQFSETKQREHRLMLRETRAKLRGIVDSKYFNRGIMMAILVNTVS
MGIEHHEQPEELTNILEICNVVFTSMFALEMILKLAAFGLFDYLRNPYNI
FDSIIVIISIWEIVGQADGGLSVLRTFRLLRVLKLVRFMPALRRQLVVLM
KTMDNVATFCMLLMLFIFIFSILGMHIFGCKFSLRTDTGDTVPDRKNFDS
LLWAIVTVFQILTQEDWNVVLYNGMASTSPWASLYFVALMTFGNYVLFNL
LVAILVEGFQQTIIAHKLFDYVVLAFIFLNCITIALERPQIEAGSTERIF
LTVSNYIFTAIFVGEMTLKVVSLGLYFGEQAYLRSSWNVLDGFLVFVSII
DIVVSLASAGGAKILGVLRVLRLLRTLRPLRVISRAPGLKLVVETLISSL
KPIGNIVLICCAFFIIFGILGVQLFKGKFYHCLGVDTRNITNRSDCMAAN
YRWVHHKYNFDNLGQALMSLFVLASKDGWVNIMYNGLDAVAVDQQPVTNH
NPWMLLYFISFLLIVSFFVLNMFVGVVVENFHKCRQHQEAEEARRREEKR
LRRLEKKRRKAQRLPYYATYCHTRLLIHSMCTSHYLDIFITFIICLNVVT
MSLEHYNQPTSLETALKYCNYMFTTVFVLEAVLKLVAFGLRRFFKDRWNQ
LDLAIVLLSVMGITLEEIEINAALPINPTIIRIMRVLRIARVLKLLKMAT
GMRALLDTVVQALPQVGNLGLLFMLLFFIYAALGVELFGKLVCNDENPCE
GMSRHATFENFGMAFLTLFQVSTGDNWNGIMKDTLRDCTHDERSCLSSLQ
FVSPLYFVSFVLTAQFVLINVVVAVLMKHLDDSNK
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 chain7wll Chain A Residue 2315 [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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PDB7wll Structure, gating, and pharmacology of human Ca V 3.3 channel.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		F372 F375 F1668 L1669
Binding residue
(residue number reindexed from 1)		F279 F282 F1065 L1066
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
GO:0005262 calcium channel activity
GO:0005515 protein binding
GO:0008331 high voltage-gated calcium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0007165 signal transduction
GO:0019228 neuronal action potential
GO:0030431 sleep
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0098703 calcium ion import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0005891 voltage-gated calcium channel complex
GO:0016020 membrane
GO:0034702 monoatomic ion channel complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wll, PDBe:7wll, PDBj:7wll
PDBsum7wll
PubMed35440630
UniProtQ9P0X4|CAC1I_HUMAN Voltage-dependent T-type calcium channel subunit alpha-1I (Gene Name=CACNA1I)

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