Browse entries in the PDBbind-CN Database

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Related entries of code: 3thb
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%
2rkuRCSB PDB    PDBbind294aa, >2RKU_1|Chain... at 100%
2yacRCSB PDB    PDBbind311aa, >2YAC_1|Chain... at 99%
3fc2RCSB PDB    PDBbind335aa, >3FC2_1|Chain... at 99%
3kb7RCSB PDB    PDBbind311aa, >3KB7_1|Chain... at 99%
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
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3thb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase PLK1 kinase domain
Ligand Name3TA
EC.Number E.C.2.7.11.21
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=2nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 197-208
Ligand Properties
Formula C23H26ClN6S
Molecular Weight 454.011
Exact Mass 453.163
No. of atoms 57
No. of bonds 60
Polar Surface Area 106.3
LOGP Value 4.03      (Computed with XLOGP3)
3.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
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): P53350  
Entrez Gene IDNCBI Entrez Gene ID: 5347  
ASDInformation of known allosteric effects of PDB entries

 
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