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Related entries of code: 2qve
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2rjrRCSB PDB    PDBbind539aa, >2RJR_1|Chains... *
2rjsRCSB PDB    PDBbind539aa, >2RJS_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2qve
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine Aminomutase
Ligand Name247
EC.Number E.C.5.4.3.6
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=4.8mM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Bioorg.Med.Chem.Lett. Vol. 18: pp. 3099-3102
Ligand Properties
Formula C9H10F2NO3
Molecular Weight 218.177
Exact Mass 218.063
No. of atoms 25
No. of bonds 25
Polar Surface Area 85.17
LOGP Value -0.70      (Computed with XLOGP3)
0.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
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): Q8GMG0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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