› 6ecq

X-ray diffraction
2.7Å resolution

The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY345899

Released:
DOI: 10.2210/pdb6ecq/pdb
PDB entry 6ecq coloured by chain, front view.
PDB entry 6ecq coloured by chain, side view.
PDB entry 6ecq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Bueno R, Dawson A, Hunter WN
Acta Crystallogr F Struct Biol Commun 75 148-152 (2019)
PMID: 30839287

Function and Biology Details

Reactions catalysed: 
5,10-methylenetetrahydrofolate + NADP(+) = 5,10-methenyltetrahydrofolate + NADPH
5,10-methenyltetrahydrofolate + H(2)O = 10-formyltetrahydrofolate
ATP + formate + tetrahydrofolate = ADP + phosphate + 10-formyltetrahydrofolate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145878 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
C-1-tetrahydrofolate synthase, cytoplasmic, N-terminally processed Chains: A, B
Molecule details ›
Chains: A, B
Length: 296 amino acids
Theoretical weight: 32.09 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P11586 (Residues: 1-296; Coverage: 32%)
Gene names: MTHFC, MTHFD, MTHFD1
Sequence domains:

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
1 bound ligand:
Ligand LUD 1 x LUD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 67.49Å b: 136.37Å c: 61.38Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.179 0.247
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 mentions without citation

A Review of Small-Molecule Inhibitors of One-Carbon Enzymes: SHMT2 and MTHFD2 in the Spotlight.
Cuthbertson et al. (2021)
5 more