› 5nrn

X-ray diffraction
2.2Å resolution

Mtb TMK crystal structure in complex with compound 3

Released:
DOI: 10.2210/pdb5nrn/pdb
PDB entry 5nrn coloured by chain, front view.
PDB entry 5nrn coloured by chain, side view.
PDB entry 5nrn coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Entry authors: Merceron R, Song L, Munier-Lehmann H, Van Calenbergh S, Savvides S

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-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 H37Rv
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

2 bound ligands:
Ligand 95W 2 x 95W
Ligand CL 7 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P41212
Unit cell:
a: 130.23Å b: 130.23Å c: 120.19Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.172 0.199
Expression system: Escherichia coli

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