› 5jfe

X-ray diffraction
2.03Å resolution

Flavin-dependent thymidylate synthase with H2-dUMP

Released:
DOI: 10.2210/pdb5jfe/pdb
PDB entry 5jfe coloured by chain, front view.
PDB entry 5jfe coloured by chain, side view.
PDB entry 5jfe coloured by chain, top view.
Source organism: Thermotoga maritima MSB8
Entry authors: Sapra A, Stuckey J, Palfey B

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 Chain: A
Molecule details ›
Chain: A
Length: 232 amino acids
Theoretical weight: 27.5 KDa
Source organism: Thermotoga maritima MSB8
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
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 1 x FAD
2 bound ligands:
Ligand UMC 1 x UMC
Ligand EDO 5 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: I4122
Unit cell:
a: 110.322Å b: 110.322Å c: 120.765Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.17 0.19
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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