› 5o22

X-ray diffraction
2.1Å resolution

E. coli FolD in complex with carolacton

Released:
DOI: 10.2210/pdb5o22/pdb
PDB entry 5o22 coloured by chain, front view.
PDB entry 5o22 coloured by chain, side view.
PDB entry 5o22 coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.
Fu C, Sikandar A, Donner J, Zaburannyi N, Herrmann J, Reck M, Wagner-Döbler I, Koehnke J, Müller R
OpenAccess logo Nat Commun 8 1529 (2017)
PMID: 29142318

Function and Biology Details

Reactions catalysed: 
5,10-methylenetetrahydrofolate + NADP(+) = 5,10-methenyltetrahydrofolate + NADPH
5,10-methenyltetrahydrofolate + H(2)O = 10-formyltetrahydrofolate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-540683 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Bifunctional protein FolD Chain: A
Molecule details ›
Chain: A
Length: 289 amino acids
Theoretical weight: 31.19 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P24186 (Residues: 2-288; Coverage: 100%)
Gene names: JW0518, ads, b0529, folD
Sequence domains:
Bifunctional protein FolD Chain: B
Molecule details ›
Chain: B
Length: 289 amino acids
Theoretical weight: 31.22 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P24186 (Residues: 2-288; Coverage: 100%)
Gene names: JW0518, ads, b0529, folD
Sequence domains:
Bifunctional protein FolD Chain: C
Molecule details ›
Chain: C
Length: 289 amino acids
Theoretical weight: 31.16 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P24186 (Residues: 2-288; Coverage: 100%)
Gene names: JW0518, ads, b0529, folD
Sequence domains:
Bifunctional protein FolD Chain: D
Molecule details ›
Chain: D
Length: 289 amino acids
Theoretical weight: 31.14 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P24186 (Residues: 2-288; Coverage: 100%)
Gene names: JW0518, ads, b0529, folD
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand C3R 4 x C3R
1 modified residue:
Ligand MLY 6 x MLY

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-3
Spacegroup: P21
Unit cell:
a: 99.64Å b: 81.016Å c: 100.935Å
α: 90° β: 112.95° γ: 90°
R-values:
R R work R free
0.176 0.175 0.206
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

15 review citations

Mechanisms of Metabolic Reprogramming in Cancer Cells Supporting Enhanced Growth and Proliferation.
Schiliro et al. (2021)
14 more

2 mentions without citation

The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.
Fu et al. (2017)
1 more