› 4fox

X-ray diffraction
2.3Å resolution

Crystal Structure of Mtb ThyA in complex with dUMP and Raltitrexed

Released:
DOI: 10.2210/pdb4fox/pdb
Model geometry
Fit model/data
PDB entry 4fox coloured by chain, front view.
PDB entry 4fox coloured by chain, side view.
PDB entry 4fox coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Entry authors: Reddy MCM, Bruning JB, Sacchettini JC, Harshbarger W, 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, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
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

2 bound ligands:
Ligand D16 8 x D16
Ligand UMP 8 x UMP
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P21
Unit cell:
a: 91.342Å b: 138.444Å c: 99.948Å
α: 90° β: 107° γ: 90°
R-values:
R R work R free
0.215 0.213 0.258
Expression system: Escherichia coli BL21(DE3)

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