Browse entries in the PDBbind-CN Database

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Related entries of code: 4tvj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3kjdRCSB PDB    PDBbind368aa, >3KJD_1|Chains... *
4zzxRCSB PDB    PDBbind363aa, >4ZZX_1|Chains... at 94%
4zzyRCSB PDB    PDBbind363aa, >4ZZY_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4tkgRCSB PDB    PDBbind09L

Entry Information
PDB ID4tvj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePoly(ADP-ribose) Polymerase 1
Ligand Name09L
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=12.3nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 1262-1271
Ligand Properties
Formula C24H21FN4O3
Molecular Weight 432.447
Exact Mass 432.160
No. of atoms 53
No. of bonds 57
Polar Surface Area 86.37
LOGP Value 1.98      (Computed with XLOGP3)
2.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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): Q9UGN5  
Entrez Gene IDNCBI Entrez Gene ID: 10038  
ASDInformation of known allosteric effects of PDB entries

 
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