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Related entries of code: 5o2d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3vfqRCSB PDB    PDBbind415aa, >3VFQ_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5o2d
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePoly [ADP-ribose] polymerase 14
Ligand Name9HH
EC.Number E.C.2.4.2.30
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=2.1uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Chem. Biol. Vol. 12: pp. 2866-2874
Ligand Properties
Formula C19H16N2O2S
Molecular Weight 336.408
Exact Mass 336.093
No. of atoms 40
No. of bonds 43
Polar Surface Area 70.34
LOGP Value 3.98      (Computed with XLOGP3)
5.51      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
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): Q460N5  
Entrez Gene IDNCBI Entrez Gene ID: 54625  
ASDInformation of known allosteric effects of PDB entries
 
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