› 4gtl

X-ray diffraction
2.17Å resolution

T. Maritima FDTS (R174K mutant) with FAD

Released:
DOI: 10.2210/pdb4gtl/pdb
PDB entry 4gtl coloured by chain, front view.
PDB entry 4gtl coloured by chain, side view.
PDB entry 4gtl coloured by chain, top view.
Source organism: Thermotoga maritima MSB8
Primary publication:
Folate binding site of flavin-dependent thymidylate synthase.
Koehn EM, Perissinotti LL, Moghram S, Prabhakar A, Lesley SA, Mathews II, Kohen A
Proc Natl Acad Sci U S A 109 15722-7 (2012)
PMID: 23019356

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: 27.48 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 3 x FAD
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P212121
Unit cell:
a: 53.78Å b: 116.46Å c: 141.19Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.189 0.241
Expression system: Escherichia coli

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Citations

8 review citations

Folic Acid Antagonists: Antimicrobial and Immunomodulating Mechanisms and Applications.
Fernández-Villa et al. (2019)
7 more

1 mention without citation

Folate binding site of flavin-dependent thymidylate synthase.
Koehn et al. (2012)