› 4fog

X-ray diffraction
2.4Å resolution

Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid

Released:
DOI: 10.2210/pdb4fog/pdb
PDB entry 4fog coloured by chain, front view.
PDB entry 4fog coloured by chain, side view.
PDB entry 4fog coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Entry authors: Reddy MCM, Bruning JB, Harshbarger W, Sacchettini JC, TB Structural Genomics Consortium (TBSGC)

Function and Biology Details

Reaction catalysed: 
5,10-methylenetetrahydrofolate + dUMP = dihydrofolate + dTMP
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161424 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate synthase ThyA Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 263 amino acids
Theoretical weight: 29.88 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WFR9 (Residues: 4-266; Coverage: 99%)
Gene names: MTV002.29c, Rv2764c, thyA
Sequence domains: Thymidylate synthase
Structure domains: Thymidylate synthase/dCMP hydroxymethylase domain

Ligands and Environments


Cofactor: Ligand C2F 3 x C2F
1 bound ligand:
Ligand UFP 4 x UFP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: C2
Unit cell:
a: 184.328Å b: 82.317Å c: 125.98Å
α: 90° β: 132.3° γ: 90°
R-values:
R R work R free
0.214 0.211 0.26
Expression system: Escherichia coli BL21(DE3)

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