Structure of PDB 4cbk Chain F Binding Site BS01

Receptor Information
>4cbk Chain F (length=69) Species: 398511 (Alkalihalophilus pseudofirmus OF4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAFLGAAIAAGLAAVAGAIAVAIIVKATIEGTTRQPELRGTLQTLMFIGV
PLAEAVPIIAIVISLLILF
Ligand information
Ligand IDDPV
InChIInChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3
InChIKeyQBHFVMDLPTZDOI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
CACTVS 3.352CCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
FormulaC17 H38 N O4 P
Namedodecyl 2-(trimethylammonio)ethyl phosphate;
dodecylphosphocholine
ChEMBLCHEMBL229565
DrugBank
ZINC
PDB chain4cbk Chain F Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cbk The C-Ring Ion-Binding Site of the ATP Synthase from Bacillus Pseudofirmus of4 is Adapted to Alkaliphilic Lifestyle.
Resolution2.42 Å
Binding residue
(original residue number in PDB)		K26 E30
Binding residue
(residue number reindexed from 1)		K26 E30
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E54
Catalytic site (residue number reindexed from 1) E54
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008289 lipid binding
GO:0015078 proton transmembrane transporter activity
GO:0046933 proton-transporting ATP synthase activity, rotational mechanism
Biological Process
GO:0006754 ATP biosynthetic process
GO:0015986 proton motive force-driven ATP synthesis
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0033177 proton-transporting two-sector ATPase complex, proton-transporting domain
GO:0045263 proton-transporting ATP synthase complex, coupling factor F(o)

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4cbk, PDBe:4cbk, PDBj:4cbk
PDBsum4cbk
PubMed24707994
UniProtP22483|ATPL_ALKPO ATP synthase subunit c (Gene Name=atpE)

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