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Related entries of code: 5ocj
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5ocj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDiacylglycerol acyltransferase/mycolyltransferase Ag85C
Ligand Name9SW
EC.Number E.C. 2.3.1.122; 2.3.1.20
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=15uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Biol. Chem. Vol. 293: pp. 2755-2769
Ligand Properties
Formula C11H20O6P
Molecular Weight 279.247
Exact Mass 279.100
No. of atoms 38
No. of bonds 37
Polar Surface Area 106.65
LOGP Value 0.12      (Computed with XLOGP3)
1.30      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 0
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P9WQN9  
Entrez Gene IDNCBI Entrez Gene ID: 45424095  886885  
ASDInformation of known allosteric effects of PDB entries
 
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