Browse entries in the PDBbind-CN Database

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Related entries of code: 3ce0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3c49RCSB PDB    PDBbind357aa, >3C49_1|Chain... *
3c4hRCSB PDB    PDBbind357aa, >3C4H_1|Chain... at 100%
3fhbRCSB PDB    PDBbind357aa, >3FHB_1|Chain... at 100%
4l70RCSB PDB    PDBbind357aa, >4L70_1|Chain... at 100%
4l7lRCSB PDB    PDBbind357aa, >4L7L_1|Chain... at 100%
4l7nRCSB PDB    PDBbind357aa, >4L7N_1|Chain... at 100%
4l7oRCSB PDB    PDBbind357aa, >4L7O_1|Chain... at 100%
4l7rRCSB PDB    PDBbind357aa, >4L7R_1|Chain... at 100%
4l7uRCSB PDB    PDBbind357aa, >4L7U_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1xk9RCSB PDB    PDBbindP34
3uh2RCSB PDB    PDBbindP34
4bjbRCSB PDB    PDBbindP34
4fk7RCSB PDB    PDBbindP34
4tjwRCSB PDB    PDBbindP34
4uxbRCSB PDB    PDBbindP34
5ewkRCSB PDB    PDBbindP34
Entry Information
PDB ID3ce0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePoly(ADP-ribose) polymerase 3
Ligand NameP34
EC.Number E.C.2.4.2.30
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=0.7uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Med.Chem. Vol. 52: pp. 3108-3111
Ligand Properties
Formula C17H33N3O2
Molecular Weight 311.463
Exact Mass 311.257
No. of atoms 55
No. of bonds 57
Polar Surface Area 70.38
LOGP Value 1.94      (Computed with XLOGP3)
0.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): Q9Y6F1  
Entrez Gene IDNCBI Entrez Gene ID: 10039  
ASDInformation of known allosteric effects of PDB entries
 
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