Structure of PDB 7tj5 Chain C Binding Site BS04

Receptor Information
>7tj5 Chain C (length=392) Species: 869211 (Spirochaeta thermophila DSM 6578) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYTLVWKVWILAVTLYYAIRIPLTLVFPSLFSPLLPLDILASLALIADIP
LDLAFESRLPDLLAALPLDLLVFALHLPSPLSLLSLVRLLKLISVQRSAT
RILSYRINPALLRLLSLVGFILLAAHGIACGWMSLQPPSENPAGTRYLSA
FYWTITTLTTIGYGDITPSTPTQTVYTIVIELLGAAMYGLVIGNIASLVS
KLDAAKLLHRERVERVTAFLSYKRISPELQRRIIEYFDYLWETRRGYEER
EVLKELPHPLRLAVAMEIHGDVIEKVPLFKGAGEEFIRDIILHLEPVIYG
PGEYIIRAGEMGSDVYFINRGSVEVLSADEKTRYAILSEGQFFGEMALIL
RAPRTATVRARAFCDLYRLDKETFDRILSRYPEIAAQIQELA
Ligand information
Ligand IDD21
InChIInChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/t35-/m1/s1
InChIKeyOPVZUEPSMJNLOM-PGUFJCEWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC
ACDLabs 12.01CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC37 H71 O8 P
Name(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate
ChEMBL
DrugBank
ZINC
PDB chain7tj5 Chain C Residue 607 [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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PDB7tj5 Anionic lipids unlock the gates of select ion channels in the pacemaker family.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		L34 S102 S157
Binding residue
(residue number reindexed from 1)		L25 S79 S134
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005221 intracellularly cyclic nucleotide-activated monoatomic cation channel activity
GO:0044877 protein-containing complex binding
Biological Process
GO:0034220 monoatomic ion transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7tj5, PDBe:7tj5, PDBj:7tj5
PDBsum7tj5
PubMed36352139
UniProtG0GA88

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