› 3bhl

X-ray diffraction
1.4Å resolution

E.coli thymidylate synthase complexes with 5-NO2dUMP and tetrahydrofolate at 1.4 A resolution

Released:
DOI: 10.2210/pdb3bhl/pdb
Model geometry
Fit model/data
PDB entry 3bhl coloured by chain, front view.
PDB entry 3bhl coloured by chain, side view.
PDB entry 3bhl 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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 264 amino acids
Theoretical weight: 30.56 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


Cofactor: Ligand THG 2 x THG
2 bound ligands:
Ligand NDU 2 x NDU
Ligand SO4 3 x SO4
1 modified residue:
Ligand CXM 2 x CXM

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 14-BM-D
Spacegroup: P63
Unit cell:
a: 124.87Å b: 124.87Å c: 66.394Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.176 0.174 0.203
Expression system: Escherichia coli

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