Browse entries in the PDBbind-CN Database

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Related entries of code: 3kjd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4tvjRCSB PDB    PDBbind368aa, >4TVJ_1|Chains... at 100%
4zzxRCSB PDB    PDBbind363aa, >4ZZX_1|Chains... at 94%
4zzyRCSB PDB    PDBbind363aa, >4ZZY_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2rd6RCSB PDB    PDBbind78P
5lx6RCSB PDB    PDBbind78P

Entry Information
PDB ID3kjd
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHuman poly(ADP-ribose) polymerase 2
Ligand Name78P
EC.Number E.C.-.-.-.-
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Kd=2.9nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochemistry Vol. 49: pp. 1056-1058
Ligand Properties
Formula C13H17N4O
Molecular Weight 245.300
Exact Mass 245.140
No. of atoms 35
No. of bonds 37
Polar Surface Area 88.38
LOGP Value 0.48      (Computed with XLOGP3)
2.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
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): Q9UGN5  
Entrez Gene IDNCBI Entrez Gene ID: 10038  
ASDInformation of known allosteric effects of PDB entries

 
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