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Related entries of code: 2rcw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1uk0RCSB PDB    PDBbind350aa, >1UK0:B|PDBID|CHAIN|... at 99%
1uk1RCSB PDB    PDBbind350aa, >1UK1:B|PDBID|CHAIN|... at 99%
1wokRCSB PDB    PDBbind350aa, >1WOK:D|PDBID|CHAIN|... at 99%
2rd6RCSB PDB    PDBbind350aa, >2RD6:A|PDBID|CHAIN|... at 100%
3gn7RCSB PDB    PDBbind350aa, >3GN7:A|PDBID|CHAIN|... at 100%
3gjwRCSB PDB    PDBbind350aa, >3GJW:A|PDBID|CHAIN|... at 100%
3l3lRCSB PDB    PDBbind350aa, >3L3L:A|PDBID|CHAIN|... at 100%
3l3mRCSB PDB    PDBbind350aa, >3L3M:A|PDBID|CHAIN|... at 100%
4hhyRCSB PDB    PDBbind355aa, >4HHY:D|PDBID|CHAIN|... at 98%
4hhzRCSB PDB    PDBbind355aa, >4HHZ:D|PDBID|CHAIN|... at 98%
4l6sRCSB PDB    PDBbind353aa, >4L6S:B|PDBID|CHAIN|... at 99%
4pjtRCSB PDB    PDBbind370aa, >4PJT:D|PDBID|CHAIN|... at 97%
4r5wRCSB PDB    PDBbind358aa, >4R5W:B|PDBID|CHAIN|... at 98%
4r6eRCSB PDB    PDBbind358aa, >4R6E:D|PDBID|CHAIN|... at 98%
4undRCSB PDB    PDBbind373aa, >4UND:B|PDBID|CHAIN|... at 100%
4uxbRCSB PDB    PDBbind352aa, >4UXB:B|PDBID|CHAIN|... at 100%
4zzzRCSB PDB    PDBbind362aa, >4ZZZ:B|PDBID|CHAIN|... at 96%
5a00RCSB PDB    PDBbind362aa, >5A00:A|PDBID|CHAIN|... at 96%
5ha9RCSB PDB    PDBbind351aa, >5HA9:B|PDBID|CHAIN|... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2rcw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePoly [ADP-ribose] polymerase 1, PARP-1
Ligand NameAAI
EC.Number E.C.2.4.2.30
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Ki=8nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference(2009) J. Med. Chem., Vol.52, pp.6803-6813
Ligand Properties
Formula C16H23N4O
Molecular Weight 287.380
Exact Mass 287.187
No. of atoms 44
No. of bonds 46
Polar Surface Area 76.21
LOGP Value 1.87      (Computed with XLOGP3)
3.10      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
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): P09874  
Entrez Gene IDNCBI Entrez Gene ID: 142  
ASDInformation of known allosteric effects of PDB entries

 
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