Browse entries in the PDBbind-CN Database

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Related entries of code: 4py4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4f1lRCSB PDB    PDBbind193aa, >4F1L_1|Chains... at 98%
4f1qRCSB PDB    PDBbind193aa, >4F1Q_1|Chains... at 98%
5lxpRCSB PDB    PDBbind193aa, >5LXP_1|Chains... at 98%
5lyhRCSB PDB    PDBbind193aa, >5LYH_1|Chains... at 98%
5nqeRCSB PDB    PDBbind193aa, >5NQE_1|Chains... at 98%
5v7tRCSB PDB    PDBbind194aa, >5V7T_1|Chain... *
5v7wRCSB PDB    PDBbind194aa, >5V7W_1|Chains... at 100%
6g0wRCSB PDB    PDBbind193aa, >6G0W_1|Chains... at 98%
6fzmRCSB PDB    PDBbind193aa, >6FZM_1|Chains... at 98%
6fymRCSB PDB    PDBbind193aa, >6FYM_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4py4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepoly(ADP-ribose) polymerases 14
Ligand NameXL2
EC.Number E.C.-.-.-.-
Resolution 2.76(Å)
Affinity (Kd/Ki/IC50)IC50=1.69uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Tetrahedron Vol. 70: pp. 5666-5673
Ligand Properties
Formula C18H20FN4OS
Molecular Weight 359.441
Exact Mass 359.134
No. of atoms 45
No. of bonds 47
Polar Surface Area 100.69
LOGP Value 3.47      (Computed with XLOGP3)
3.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
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): Q460N5  
Entrez Gene IDNCBI Entrez Gene ID: 54625  
ASDInformation of known allosteric effects of PDB entries
 
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