Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 3uwk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3uwoRCSB PDB    PDBbind220aa, >3UWO_1|Chains... at 100%
3uxmRCSB PDB    PDBbind211aa, >3UXM_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 ID3uwk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePseudomonas aeruginosa Thymidylate Kinase
Ligand Name0DF
EC.Number E.C.2.7.4.9
Resolution 1.91(Å)
Affinity (Kd/Ki/IC50)IC50=58uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 852-870
Ligand Properties
Formula C13H11N3O
Molecular Weight 225.246
Exact Mass 225.090
No. of atoms 28
No. of bonds 30
Polar Surface Area 50.68
LOGP Value 1.64      (Computed with XLOGP3)
1.93      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
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): Q9HZN8  
Entrez Gene IDNCBI Entrez Gene ID: 878730  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com