› 4unq

X-ray diffraction
2.3Å resolution

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161735 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 210 amino acids
Theoretical weight: 22.26 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WKE1 (Residues: 1-210; Coverage: 98%)
Gene names: Rv3247c, tmk
Sequence domains: Thymidylate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand H6D 2 x H6D
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E
Spacegroup: P32
Unit cell:
a: 75.459Å b: 75.459Å c: 71.579Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.176 0.175 0.213
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Recent advances of pyrazole-containing derivatives as anti-tubercular agents.
Xu et al. (2017)
5 more

1 mention without citation

Synthesis and structure activity relationships of cyanopyridone based anti-tuberculosis agents.
Jian et al. (2020)