› 1hw4

X-ray diffraction
2.06Å resolution

STRUCTURE OF THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS

Released:
DOI: 10.2210/pdb1hw4/pdb
PDB entry 1hw4 coloured by chain, front view.
PDB entry 1hw4 coloured by chain, side view.
PDB entry 1hw4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
Phan J, Steadman DJ, Koli S, Ding WC, Minor W, Dunlap RB, Berger SH, Lebioda L
J Biol Chem 276 14170-7 (2001)
PMID: 11278511

Function and Biology Details

Reaction catalysed: 
5,10-methylenetetrahydrofolate + dUMP = dihydrofolate + dTMP
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-138196 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate synthase Chain: A
Molecule details ›
Chain: A
Length: 355 amino acids
Theoretical weight: 40.92 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04818 (Residues: 1-313; Coverage: 100%)
Gene names: OK/SW-cl.29, TS, TYMS
Sequence domains: Thymidylate synthase
Structure domains: Thymidylate synthase/dCMP hydroxymethylase domain

Ligands and Environments

2 bound ligands:
Ligand SO4 3 x SO4
Ligand EDO 1 x EDO
1 modified residue:
Ligand CME 3 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P3121
Unit cell:
a: 95.68Å b: 95.68Å c: 82.998Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.224 0.224 0.24
Expression system: Escherichia coli

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Citations

3 review citations

Inside the biochemical pathways of thymidylate synthase perturbed by anticancer drugs: Novel strategies to overcome cancer chemoresistance.
Taddia et al. (2015)
2 more

3 mentions without citation

A robust bulk-solvent correction and anisotropic scaling procedure.
Afonine et al. (2005)
2 more