Browse entries in the PDBbind-CN Database

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Related entries of code: 4zzy
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%
4zzxRCSB PDB    PDBbind363aa, >4ZZX_1|Chains... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5a00RCSB PDB    PDBbindD7N

Entry Information
PDB ID4zzy
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman PARP2 catalytic domain
Ligand NameD7N
EC.Number E.C.
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=2.5uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 6875-6898
Ligand Properties
Formula C20H25F3N3O2
Molecular Weight 396.427
Exact Mass 396.190
No. of atoms 53
No. of bonds 56
Polar Surface Area 67.84
LOGP Value 2.46      (Computed with XLOGP3)
3.71      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
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): Q9UGN5  
Entrez Gene IDNCBI Entrez Gene ID: 10038  
ASDInformation of known allosteric effects of PDB entries

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