› 5o22

X-ray diffraction
2.1Å resolution

E. coli FolD in complex with carolacton

Released:
DOI: 10.2210/pdb5o22/pdb
PDB 5o22 coloured by chain and viewed from the front.
PDB 5o22 coloured by chain and viewed from the side.
PDB 5o22 coloured by chain and viewed from the top.
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-methenyltetrahydrofolate + H(2)O = 10-formyltetrahydrofolate
5,10-methylenetetrahydrofolate + NADP(+) = 5,10-methenyltetrahydrofolate + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (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

5 review citations

Role of ACE2 receptor and the landscape of treatment options from convalescent plasma therapy to the drug repurposing in COVID-19.
Kumar et al. (2021)
4 more