› 3bfi

X-ray diffraction
2.2Å resolution

E. Coli Thymidylate Synthase Y209M mutant complexed with 5-nitro-dUMP

Released:
DOI: 10.2210/pdb3bfi/pdb
PDB entry 3bfi coloured by chain, front view.
PDB entry 3bfi coloured by chain, side view.
PDB entry 3bfi 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: 30.53 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

2 bound ligands:
Ligand SO4 1 x SO4
Ligand NDU 1 x NDU
1 modified residue:
Ligand CXM 1 x CXM

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR571
Spacegroup: I213
Unit cell:
a: 133.02Å b: 133.02Å c: 133.02Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.165 0.218
Expression system: Escherichia coli

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