› 4up1

X-ray diffraction
2.99Å resolution

Crystal structure of native human Thymidylate synthase in active form

Released:
DOI: 10.2210/pdb4up1/pdb
PDB entry 4up1 coloured by chain, front view.
PDB entry 4up1 coloured by chain, side view.
PDB entry 4up1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of the active form of native human thymidylate synthase in the absence of bound substrates.
Deschamps P, Réty S, Bareille J, Leulliot N
Acta Crystallogr F Struct Biol Commun 73 336-341 (2017)
PMID: 28580921

Function and Biology Details

Reaction catalysed: 
5,10-methylenetetrahydrofolate + dUMP = dihydrofolate + dTMP
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138193 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate synthase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 313 amino acids
Theoretical weight: 35.78 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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

1 bound ligand:
Ligand SO4 12 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P21
Unit cell:
a: 91.79Å b: 106.46Å c: 101.5Å
α: 90° β: 108.99° γ: 90°
R-values:
R R work R free
0.216 0.214 0.244
Expression system: Escherichia coli BL21(DE3)

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Citations

1 citations in other articles

Biomolecular study of human thymidylate synthase conformer-selective inhibitors: New chemotherapeutic approach.
El-Mesallamy et al. (2018)

3 mentions without citation

Synthesis, in vitro bioassays, and computational study of heteroaryl nitazoxanide analogs.
Ahmed et al. (2021)
2 more