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Related entries of code: 2vrx
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%
3ztxRCSB PDB    PDBbind44aa, >3ZTX_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 ID2vrx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameXenopus laevis Aurora kinase B
Ligand Name447
EC.Number E.C.2.7.11.1
Resolution 1.86(Å)
Affinity (Kd/Ki/IC50)IC50=45nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J. Med. Chem., Vol.55, pp.7841-7848
Ligand Properties
Formula C29H32N5O4
Molecular Weight 514.595
Exact Mass 514.245
No. of atoms 70
No. of bonds 74
Polar Surface Area 99.04
LOGP Value 4.21      (Computed with XLOGP3)
5.03      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
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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