› 3bgx

X-ray diffraction
1.93Å resolution

E. coli Thymidylate Synthase C146S mutant complexed with dTMP and MTF

Released:
DOI: 10.2210/pdb3bgx/pdb
PDB entry 3bgx coloured by chain, front view.
PDB entry 3bgx coloured by chain, side view.
PDB entry 3bgx coloured by chain, top view.
Source organism: Escherichia coli
Entry authors: Roberts SA, Montfort WR

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141681 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate synthase Chain: A
Molecule details ›
Chain: A
Length: 264 amino acids
Theoretical weight: 30.54 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A884 (Residues: 1-264; Coverage: 100%)
Gene names: JW2795, b2827, thyA
Sequence domains: Thymidylate synthase
Structure domains: Thymidylate synthase/dCMP hydroxymethylase domain

Ligands and Environments

3 bound ligands:
Ligand SO4 2 x SO4
Ligand TMP 1 x TMP
Ligand MEF 1 x MEF
1 modified residue:
Ligand CXM 1 x CXM

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR571
Spacegroup: P3121
Unit cell:
a: 72.03Å b: 72.03Å c: 115.46Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.187 0.184 0.23
Expression system: Escherichia coli

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