Structure of PDB 7pgg Chain A Binding Site BS01

Receptor Information
>7pgg Chain A (length=147) Species: 59754 (Alcanivorax borkumensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VESLMQALPGIGWTAALLLMMFYIFAVMGTELFGEAFPQWFGSLGASIYS
LFQIMTLESWSMGIARPVMEVYPLAWIFFVPFILISSFMVLNLFIAIIVS
ATQEVHESEQRAEREANNLIAHDERQEMLDLMRAMHAKIVALEQQGA
Ligand information
Ligand IDVVA
InChIInChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)26-19-20-28-29(24,25)27-18-17-22/h2-20,22H2,1H3,(H,24,25)
InChIKeyKBKQEKNZSDBGFI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCCC(=O)OCCO[P](O)(=O)OCCN
ACDLabs 12.01O=P(OCCN)(O)OCCOC(CCCCCCCCCCCCCCCC)=O
OpenEye OEToolkits 2.0.4CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN
FormulaC21 H44 N O6 P
Name2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate
ChEMBL
DrugBank
ZINCZINC000584905742
PDB chain7pgg Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pgg Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		L163 I208
Binding residue
(residue number reindexed from 1)		L32 I77
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005261 monoatomic cation channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
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:7pgg, PDBe:7pgg, PDBj:7pgg
PDBsum7pgg
PubMed35655098
UniProtQ0VNY2

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