› 3g4a

X-ray diffraction
1.95Å resolution

Crystal structure of flavine dependant thymidylate synthase S88A mutant from Thermotoga maritima at 1.95 angstrom resolution

Released:
DOI: 10.2210/pdb3g4a/pdb
PDB entry 3g4a coloured by chain, front view.
PDB entry 3g4a coloured by chain, side view.
PDB entry 3g4a coloured by chain, top view.
Source organism: Thermotoga maritima MSB8
Primary publication:
An unusual mechanism of thymidylate biosynthesis in organisms containing the thyX gene.
Koehn EM, Fleischmann T, Conrad JA, Palfey BA, Lesley SA, Mathews II, Kohen A
Nature 458 919-23 (2009)
PMID: 19370033

Function and Biology Details

Reaction catalysed: 
5,10-methylenetetrahydrofolate + dUMP + NADPH = dTMP + tetrahydrofolate + NADP(+)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-194544 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Flavin-dependent thymidylate synthase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 232 amino acids
Theoretical weight: 27.49 KDa
Source organism: Thermotoga maritima MSB8
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9WYT0 (Residues: 1-220; Coverage: 100%)
Gene names: TM_0449, thy1, thyX
Sequence domains: Thymidylate synthase complementing protein
Structure domains: Gyrase A; domain 2

Ligands and Environments


Cofactor: Ligand FAD 4 x FAD
1 bound ligand:
Ligand UMP 4 x UMP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P212121
Unit cell:
a: 53.952Å b: 116.222Å c: 140.728Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.186 0.222
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Flavin-Dependent Methylation of RNAs: Complex Chemistry for a Simple Modification.
Hamdane et al. (2016)
8 more

2 mentions without citation

An unusual mechanism of thymidylate biosynthesis in organisms containing the thyX gene.
Koehn et al. (2009)
1 more