› 7cca

X-ray diffraction
2.75Å resolution

Crystal structure of White Spot Syndrome Virus Thymidylate Synthase - ternary complex with Methotrexate and dUMP

Released:
DOI: 10.2210/pdb7cca/pdb
PDB entry 7cca coloured by chain, front view.
PDB entry 7cca coloured by chain, side view.
PDB entry 7cca coloured by chain, top view.
Source organism: Shrimp white spot syndrome virus (isolate Tongan)
Primary publication:
Structure analysis of thymidylate synthase from white spot syndrome virus reveals WSSV-specific structural elements.
Panchal V, Kumar S, Hossain SN, Vasudevan D
Int J Biol Macromol 167 1168-1175 (2021)
PMID: 33197475

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-181211 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
thymidylate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 297 amino acids
Theoretical weight: 34.19 KDa
Source organism: Shrimp white spot syndrome virus (isolate Tongan)
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q77J90 (Residues: 1-289; Coverage: 100%)
Sequence domains: Thymidylate synthase

Ligands and Environments

2 bound ligands:
Ligand UMP 2 x UMP
Ligand MTX 2 x MTX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-3
Spacegroup: P43212
Unit cell:
a: 92.385Å b: 92.385Å c: 234.72Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.185 0.228
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Viral Shrimp Diseases Listed by the OIE: A Review.
Lee et al. (2022)