› 4edh

X-ray diffraction
1.32Å resolution

The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with ADP,TMP and Mg.

Released:
DOI: 10.2210/pdb4edh/pdb
PDB entry 4edh coloured by chain, front view.
PDB entry 4edh coloured by chain, side view.
PDB entry 4edh coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Entry authors: Tan K, Joachimiak G, Jedrzejczak R, Sacchettini J, Joachimiak A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)

Function and Biology Details

Reaction catalysed: 
ATP + dTMP = ADP + dTDP
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191204 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 213 amino acids
Theoretical weight: 23.41 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9HZN8 (Residues: 1-210; Coverage: 100%)
Gene names: PA2962, tmk
Sequence domains: Thymidylate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

6 bound ligands:
Ligand TMP 2 x TMP
Ligand ADP 2 x ADP
Ligand MG 2 x MG
Ligand TRS 1 x TRS
Ligand SO4 1 x SO4
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P1
Unit cell:
a: 45.597Å b: 46.807Å c: 53.101Å
α: 94.98° β: 112.33° γ: 105.83°
R-values:
R R work R free
0.169 0.168 0.189
Expression system: Escherichia coli BL21(DE3)

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