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Related entries of code: 2xk3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2xk4RCSB PDB    PDBbind279aa, >2XK4:A|PDBID|CHAIN|... at 100%
2xk6RCSB PDB    PDBbind279aa, >2XK6:A|PDBID|CHAIN|... at 100%
2xk7RCSB PDB    PDBbind279aa, >2XK7:A|PDBID|CHAIN|... at 100%
2xk8RCSB PDB    PDBbind279aa, >2XK8:A|PDBID|CHAIN|... at 100%
2xkcRCSB PDB    PDBbind279aa, >2XKC:A|PDBID|CHAIN|... at 100%
2xkdRCSB PDB    PDBbind279aa, >2XKD:A|PDBID|CHAIN|... at 100%
2xkeRCSB PDB    PDBbind279aa, >2XKE:A|PDBID|CHAIN|... at 100%
2xkfRCSB PDB    PDBbind279aa, >2XKF:A|PDBID|CHAIN|... at 100%
2xnmRCSB PDB    PDBbind279aa, >2XNM:A|PDBID|CHAIN|... at 100%
2xnnRCSB PDB    PDBbind279aa, >2XNN:A|PDBID|CHAIN|... at 100%
2xnoRCSB PDB    PDBbind279aa, >2XNO:A|PDBID|CHAIN|... at 100%
2xnpRCSB PDB    PDBbind279aa, >2XNP:A|PDBID|CHAIN|... at 100%
4a4xRCSB PDB    PDBbind279aa, >4A4X:A|PDBID|CHAIN|... at 98%
4afeRCSB PDB    PDBbind279aa, >4AFE:A|PDBID|CHAIN|... at 100%
5m51RCSB PDB    PDBbind279aa, >5M51:A|PDBID|CHAIN|... at 100%
5m53RCSB PDB    PDBbind279aa, >5M53:A|PDBID|CHAIN|... at 99%
5m55RCSB PDB    PDBbind279aa, >5M55:A|PDBID|CHAIN|... at 100%
5m57RCSB PDB    PDBbind279aa, >5M57:A|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 ID2xk3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecatalytic domain of mitotic kinase Nek2
Ligand NameXK3
EC.Number E.C.2.7.11.1
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=2.1uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference(2010) J. Med. Chem. Vol. 53: pp. 7682-7698
Ligand Properties
Formula C17H23N3O2S
Molecular Weight 333.448
Exact Mass 333.151
No. of atoms 46
No. of bonds 48
Polar Surface Area 114.4
LOGP Value 3.13      (Computed with XLOGP3)
4.33      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
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): P51955  
Entrez Gene IDNCBI Entrez Gene ID: 4751  
ASDInformation of known allosteric effects of PDB entries

 
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