Browse entries in the PDBbind-CN Database

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Related entries of code: 4l7n
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%
3ce0RCSB PDB    PDBbind357aa, >3CE0_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%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4l7n
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman artd3 (parp3) - catalytic domain
Ligand Name1VB
EC.Number E.C.2.4.2.30
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=14.4uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 9556-9568
Ligand Properties
Formula C19H20N4O4S
Molecular Weight 400.452
Exact Mass 400.121
No. of atoms 48
No. of bonds 50
Polar Surface Area 143.39
LOGP Value 0.33      (Computed with XLOGP3)
3.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
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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