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Related entries of code: 5j47
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5j4vRCSB PDB    PDBbind372aa, >5J4V_1|Chain... at 100%
5j4yRCSB PDB    PDBbind372aa, >5J4Y_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5j47
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameJCV Large T antigen
Ligand Name6JJ
EC.Number E.C.3.6.4
Resolution 1.99(Å)
Affinity (Kd/Ki/IC50)IC50=4.9uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 7138-7151
Ligand Properties
Formula C15H11N4OS
Molecular Weight 295.339
Exact Mass 295.065
No. of atoms 32
No. of bonds 35
Polar Surface Area 83.45
LOGP Value 4.14      (Computed with XLOGP3)
3.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
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): P03072  
Entrez Gene IDNCBI Entrez Gene ID: 1489517  
ASDInformation of known allosteric effects of PDB entries
 
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