Structure of PDB 7wli Chain A Binding Site BS01

Receptor Information

>7wli 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 ID

Y01

InChI

InChI=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

InChIKey

WLNARFZDISHUGS-MIXBDBMTSA-N

SMILES

Software	SMILES
CACTVS 3.352	CC(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 1.6.1	CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1	CC(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 3.352	CC(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

Formula

C31 H50 O4

Name

CHOLESTEROL HEMISUCCINATE

PDB chain

7wli Chain A Residue 2309 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7wli Structure, gating, and pharmacology of human Ca V 3.3 channel.
Resolution	3.3 Å
Binding residue (original residue number in PDB)	F223 I226 L230 H370 S371 Y373 N374 Y377 R1585
Binding residue (residue number reindexed from 1)	F158 I161 L165 H277 S278 Y280 N281 Y284 R982
Annotation score	1

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

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:7wli, PDBe:7wli, PDBj:7wli
PDBsum	7wli
PubMed	35440630
UniProt	Q9P0X4\|CAC1I_HUMAN Voltage-dependent T-type calcium channel subunit alpha-1I (Gene Name=CACNA1I)

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