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Related entries of code: 4abk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2bfqRCSB PDB    PDBbindAR6
3q71RCSB PDB    PDBbindAR6
3vfqRCSB PDB    PDBbindAR6
5fsyRCSB PDB    PDBbindAR6
6g28RCSB PDB    PDBbindAR6
6hgzRCSB PDB    PDBbindAR6
5zdgRCSB PDB    PDBbindAR6
5zdfRCSB PDB    PDBbindAR6
5zdeRCSB PDB    PDBbindAR6
5zddRCSB PDB    PDBbindAR6
5zdcRCSB PDB    PDBbindAR6
5zdbRCSB PDB    PDBbindAR6
Entry Information
PDB ID4abk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePoly [ADP-ribose] polymerase 14 MACRO DOMAIN 3
Ligand NameAR6
EC.Number E.C.2.4.2.30
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=1.9uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Structure Vol. 21: pp. 462
Ligand Properties
Formula C15H25N5O14P2
Molecular Weight 561.332
Exact Mass 561.087
No. of atoms 61
No. of bonds 64
Polar Surface Area 325.02
LOGP Value -6.34      (Computed with XLOGP3)
-3.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 19
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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