4g6w

X-ray diffraction
2.3Å resolution

Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol

Released:
Source organism: Homo sapiens
Entry authors: Celeste LR, Lebioda L

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate synthase Chain: X
Molecule details ›
Chain: X
Length: 313 amino acids
Theoretical weight: 35.87 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:

2 modified residues:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P3121
Unit cell:
a: 95.846Å b: 95.846Å c: 80.525Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.224 0.222 0.264
Expression system: Escherichia coli