› 2cfa

X-ray diffraction
2.3Å resolution

Structure of viral flavin-dependant thymidylate synthase ThyX

Released:
DOI: 10.2210/pdb2cfa/pdb
PDB entry 2cfa coloured by chain, front view.
PDB entry 2cfa coloured by chain, side view.
PDB entry 2cfa coloured by chain, top view.
Source organism: Paramecium bursaria Chlorella virus 1
Primary publication:
Catalytic mechanism and structure of viral flavin-dependent thymidylate synthase ThyX.
Graziani S, Bernauer J, Skouloubris S, Graille M, Zhou CZ, Marchand C, Decottignies P, van Tilbeurgh H, Myllykallio H, Liebl U
J Biol Chem 281 24048-57 (2006)
PMID: 16707489

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:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128787 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Probable flavin-dependent thymidylate synthase Chain: A
Molecule details ›
Chain: A
Length: 217 amino acids
Theoretical weight: 25.15 KDa
Source organism: Paramecium bursaria Chlorella virus 1
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: O41156 (Residues: 1-216; Coverage: 100%)
Gene name: A674R
Sequence domains: Thymidylate synthase complementing protein
Structure domains:
Probable flavin-dependent thymidylate synthase Chain: B
Molecule details ›
Chain: B
Length: 217 amino acids
Theoretical weight: 25.15 KDa
Source organism: Paramecium bursaria Chlorella virus 1
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: O41156 (Residues: 1-216; Coverage: 100%)
Gene name: A674R
Sequence domains: Thymidylate synthase complementing protein
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD
No bound ligands
1 modified residue:
Ligand CME 2 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P21212
Unit cell:
a: 69.264Å b: 76.991Å c: 93.437Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.213 0.262
Expression system: Escherichia coli DH5[alpha]

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Citations

5 review citations

Thymidyl biosynthesis enzymes as antibiotic targets.
Chernyshev et al. (2007)
4 more