Browse entries in the PDBbind-CN Database

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Related entries of code: 2rku
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ou7RCSB PDB    PDBbind335aa, >2OU7_1|Chain... at 99%
2owbRCSB PDB    PDBbind335aa, >2OWB_1|Chain... at 99%
2yacRCSB PDB    PDBbind311aa, >2YAC_1|Chain... at 99%
3fc2RCSB PDB    PDBbind335aa, >3FC2_1|Chain... at 99%
3kb7RCSB PDB    PDBbind311aa, >3KB7_1|Chain... at 99%
3thbRCSB PDB    PDBbind333aa, >3THB_1|Chain... at 100%
4a4lRCSB PDB    PDBbind311aa, >4A4L_1|Chain... at 99%
4a4oRCSB PDB    PDBbind311aa, >4A4O_1|Chain... at 99%
4j52RCSB PDB    PDBbind293aa, >4J52_1|Chain... at 100%
4j53RCSB PDB    PDBbind293aa, >4J53_1|Chain... at 100%
5ta6RCSB PDB    PDBbind358aa, >5TA6_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4i5mRCSB PDB    PDBbindR78
4o74RCSB PDB    PDBbindR78
4ogiRCSB PDB    PDBbindR78

Entry Information
PDB ID2rku
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePlk1
Ligand NameR78
EC.Number E.C.
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=5.0nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Chem.Biol.Drug Des. Vol. 70: pp. 540-546
Ligand Properties
Formula C28H40N7O3
Molecular Weight 522.662
Exact Mass 522.319
No. of atoms 78
No. of bonds 82
Polar Surface Area 104.13
LOGP Value 3.74      (Computed with XLOGP3)
4.30      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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): P53350  
Entrez Gene IDNCBI Entrez Gene ID: 5347  
ASDInformation of known allosteric effects of PDB entries

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