› 1n5l

X-ray diffraction
2.3Å resolution

CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE, AFTER CATALYSIS IN THE CRYSTAL (2.3 A RESOLUTION)

Released:
DOI: 10.2210/pdb1n5l/pdb
PDB entry 1n5l coloured by chain, front view.
PDB entry 1n5l coloured by chain, side view.
PDB entry 1n5l coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Mycobacterium tuberculosis thymidylate kinase: structural studies of intermediates along the reaction pathway.
Fioravanti E, Haouz A, Ursby T, Munier-Lehmann H, Delarue M, Bourgeois D
J Mol Biol 327 1077-92 (2003)
PMID: 12662932

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161736 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 214 amino acids
Theoretical weight: 22.66 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WKE1 (Residues: 1-214; Coverage: 100%)
Gene names: Rv3247c, tmk
Sequence domains: Thymidylate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

5 bound ligands:
Ligand ACT 2 x ACT
Ligand TMP 1 x TMP
Ligand MG 1 x MG
Ligand TYD 1 x TYD
Ligand DPO 1 x DPO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P3121
Unit cell:
a: 64.454Å b: 64.454Å c: 195.899Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.238 0.236 0.28
Expression system: Escherichia coli

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Citations

3 review citations

Advances in kinetic protein crystallography.
Bourgeois et al. (2005)
2 more

1 mention without citation

Data Intensive Genome Level Analysis for Identifying Novel, Non-Toxic Drug Targets for Multi Drug Resistant Mycobacterium tuberculosis.
Kaur et al. (2017)