› 3n5g

X-ray diffraction
2.27Å resolution

Crystal Structure of histidine-tagged human thymidylate synthase

Released:
DOI: 10.2210/pdb3n5g/pdb
PDB entry 3n5g coloured by chain, front view.
PDB entry 3n5g coloured by chain, side view.
PDB entry 3n5g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase.
Cardinale D, Guaitoli G, Tondi D, Luciani R, Henrich S, Salo-Ahen OM, Ferrari S, Marverti G, Guerrieri D, Ligabue A, Frassineti C, Pozzi C, Mangani S, Fessas D, Guerrini R, Ponterini G, Wade RC, Costi MP
Proc Natl Acad Sci U S A 108 E542-9 (2011)
PMID: 21795601

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-138196 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate synthase Chain: A
Molecule details ›
Chain: A
Length: 325 amino acids
Theoretical weight: 37.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04818 (Residues: 1-313; Coverage: 100%)
Gene names: OK/SW-cl.29, TS, TYMS
Sequence domains: Thymidylate synthase
Structure domains: Thymidylate synthase/dCMP hydroxymethylase domain

Ligands and Environments

1 bound ligand:
Ligand SO4 3 x SO4
2 modified residues:
Ligand SCH 3 x SCH
Ligand CME 1 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P3121
Unit cell:
a: 96.07Å b: 96.07Å c: 83.2Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.168 0.166 0.201
Expression system: Escherichia coli

Quick links

Citations

9 review citations

On the binding affinity of macromolecular interactions: daring to ask why proteins interact.
Kastritis et al. (2013)
8 more

8 mentions without citation

Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase.
Cardinale et al. (2011)
7 more