› 5x8b

X-ray diffraction
1.39Å resolution

Crystal structure of ATP-TMP and ADP bound thymidylate kinase from Thermus thermophilus HB8

Released:
DOI: 10.2210/pdb5x8b/pdb
PDB entry 5x8b coloured by chain, front view.
PDB entry 5x8b coloured by chain, side view.
PDB entry 5x8b coloured by chain, top view.
Source organism: Thermus thermophilus HB8
Primary publication:
Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Chaudhary SK, Jeyakanthan J, Sekar K
Acta Crystallogr D Struct Biol 74 341-354 (2018)
PMID: 29652261

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-177914 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 198 amino acids
Theoretical weight: 22.01 KDa
Source organism: Thermus thermophilus HB8
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q5SHX3 (Residues: 1-198; Coverage: 100%)
Gene names: TTHA1607, tmk
Sequence domains: Thymidylate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

4 bound ligands:
Ligand ATP 1 x ATP
Ligand TMP 1 x TMP
Ligand MG 7 x MG
Ligand ADP 1 x ADP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P212121
Unit cell:
a: 47.058Å b: 47.467Å c: 152.453Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.146 0.144 0.181
Expression system: Escherichia coli BL21(DE3)

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Citations

1 citations in other articles

Halogenated Pyrrolopyrimidines with Low MIC on Staphylococcus aureus and Synergistic Effects with an Antimicrobial Peptide.
Olsen et al. (2022)