› 4fzb

X-ray diffraction
2.59Å resolution

Structure of thymidylate synthase ThyX complexed to a new inhibitor

Released:
DOI: 10.2210/pdb4fzb/pdb
PDB entry 4fzb coloured by chain, front view.
PDB entry 4fzb coloured by chain, side view.
PDB entry 4fzb coloured by chain, top view.
Source organism: Paramecium bursaria Chlorella virus 1
Primary publication:
Mechanistic and structural basis for inhibition of thymidylate synthase ThyX.
Basta T, Boum Y, Briffotaux J, Becker HF, Lamarre-Jouenne I, Lambry JC, Skouloubris S, Liebl U, Graille M, van Tilbeurgh H, Myllykallio H
Open Biol 2 120120 (2012)
PMID: 23155486

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-128788 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Probable flavin-dependent thymidylate synthase Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
Length: 227 amino acids
Theoretical weight: 26.21 KDa
Source organism: Paramecium bursaria Chlorella virus 1
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O41156 (Residues: 2-216; Coverage: 100%)
Gene name: A674R
Sequence domains: Thymidylate synthase complementing protein
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 16 x FAD
2 bound ligands:
Ligand 0VJ 16 x 0VJ
Ligand DMS 13 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P1
Unit cell:
a: 69.975Å b: 120.585Å c: 128.249Å
α: 111.65° β: 91.13° γ: 90.18°
R-values:
R R work R free
0.213 0.211 0.261
Expression system: Escherichia coli BL21

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Citations

4 review citations

Comparative genomics reveals electron transfer and syntrophic mechanisms differentiating methanotrophic and methanogenic archaea.
Chadwick et al. (2022)
3 more

3 mentions without citation

Targeting Methyltransferases in Human Pathogenic Bacteria: Insights into Thymidylate Synthase (TS) and Flavin-Dependent TS (FDTS).
Pozzi et al. (2019)
2 more