› 2g86

X-ray diffraction
2.4Å resolution

L. casei thymidylate synthase Y261F in complex with substrate, dUMP

Released:
DOI: 10.2210/pdb2g86/pdb
PDB entry 2g86 coloured by chain, front view.
PDB entry 2g86 coloured by chain, side view.
PDB entry 2g86 coloured by chain, top view.
Source organism: Lacticaseibacillus casei
Primary publication:
The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261.
Newby Z, Lee TT, Morse RJ, Liu Y, Liu L, Venkatraman P, Santi DV, Finer-Moore JS, Stroud RM
Biochemistry 45 7415-28 (2006)
PMID: 16768437

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-132544 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate synthase Chain: A
Molecule details ›
Chain: A
Length: 316 amino acids
Theoretical weight: 36.61 KDa
Source organism: Lacticaseibacillus casei
Expression system: Escherichia coli
UniProt:
  • Canonical: P00469 (Residues: 1-316; Coverage: 100%)
Gene name: thyA
Sequence domains: Thymidylate synthase
Structure domains: Thymidylate synthase/dCMP hydroxymethylase domain

Ligands and Environments

1 bound ligand:
Ligand UMP 1 x UMP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P6122
Unit cell:
a: 78.55Å b: 78.55Å c: 241.8Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.177 0.174 0.233
Expression system: Escherichia coli

Quick links

Citations

6 review citations

5-Fluorouracil: mechanisms of resistance and reversal strategies.
Zhang et al. (2008)
5 more

1 mention without citation

The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261.
Newby et al. (2006)