› 3ehi

X-ray diffraction
2Å resolution

Crystal Structure of Human Thymidyalte Synthase M190K with Loop 181-197 stabilized in the inactive conformation

Released:
DOI: 10.2210/pdb3ehi/pdb
PDB entry 3ehi coloured by chain, front view.
PDB entry 3ehi coloured by chain, side view.
PDB entry 3ehi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Variants of human thymidylate synthase with loop 181-197 stabilized in the inactive conformation.
Lovelace LL, Johnson SR, Gibson LM, Bell BJ, Berger SH, Lebioda L
Protein Sci 18 1628-36 (2009)
PMID: 19569192

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo dimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138193 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate synthase Chain: X
Molecule details ›
Chain: X
Length: 313 amino acids
Theoretical weight: 35.91 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 2 x SO4
Ligand EDO 1 x EDO
1 modified residue:
Ligand CME 2 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P3121
Unit cell:
a: 96.053Å b: 96.053Å c: 80.064Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.2 0.198 0.238
Expression system: Escherichia coli

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Citations

1 review citation

Therapeutic targeting of the mitochondrial one-carbon pathway: perspectives, pitfalls, and potential.
Zhao et al. (2021)
9 other articles

3 mentions without citation

Conformational diversity analysis reveals three functional mechanisms in proteins.
Monzon et al. (2017)
2 more