Browse entries in the PDBbind-CN Database

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Related entries of code: 4zzx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3kjdRCSB PDB    PDBbind368aa, >3KJD_1|Chains... *
4tvjRCSB PDB    PDBbind368aa, >4TVJ_1|Chains... at 100%
4zzyRCSB PDB    PDBbind363aa, >4ZZY_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4zzzRCSB PDB    PDBbindFSU

Entry Information
PDB ID4zzx
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePARP2 catalytic domain
Ligand NameFSU
EC.Number E.C.2.4.2.30
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Kd=0.125uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 6875-6898
Ligand Properties
Formula C13H16N2O3
Molecular Weight 248.278
Exact Mass 248.116
No. of atoms 34
No. of bonds 35
Polar Surface Area 72.63
LOGP Value 0.04      (Computed with XLOGP3)
1.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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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