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Related entries of code: 3uxm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3uwkRCSB PDB    PDBbind232aa, >3UWK_1|Chains... *
3uwoRCSB PDB    PDBbind220aa, >3UWO_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 ID3uxm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePseudomonas aeruginosa Thymidylate Kinase
Ligand Name0DN
EC.Number E.C.2.7.4.9
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=20uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 852-870
Ligand Properties
Formula C10H13FN2O4
Molecular Weight 244.220
Exact Mass 244.086
No. of atoms 30
No. of bonds 31
Polar Surface Area 84.32
LOGP Value -0.48      (Computed with XLOGP3)
-0.54      (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: 6
No. of Rings: 2
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): Q9HZN8  
Entrez Gene IDNCBI Entrez Gene ID: 878730  
ASDInformation of known allosteric effects of PDB entries

 
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