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Related entries of code: 3ztx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2vgoRCSB PDB    PDBbind44aa, >2VGO_2|Chains... at 100%
2vgpRCSB PDB    PDBbind43aa, >2VGP_2|Chains... at 100%
2vrxRCSB PDB    PDBbind43aa, >2VRX_2|Chains... at 100%
4c2vRCSB PDB    PDBbind44aa, >4C2V_2|Chains... at 100%
5eykRCSB PDB    PDBbind59aa, >5EYK_2|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3ztx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameXenopus laevis Aurora B/INCENP complex
Ligand NameZTX
EC.Number E.C.2.7.11.1
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=18.4nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Acs Chem.Biol. Vol. 7: pp. 185-198
Ligand Properties
Formula C24H26N6O2
Molecular Weight 430.502
Exact Mass 430.212
No. of atoms 58
No. of bonds 62
Polar Surface Area 88.21
LOGP Value 3.18      (Computed with XLOGP3)
3.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
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): O13024  Q6DE08  
Entrez Gene IDNCBI Entrez Gene ID: 398105  398457  
ASDInformation of known allosteric effects of PDB entries

 
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