› 7o4w

X-ray diffraction
2.03Å resolution

Crystal structure of diphtheria toxin mutant CRM197 with a disulphide bond replaced by a Cys-Acetone-Cys bridge

Released:
DOI: 10.2210/pdb7o4w/pdb
PDB entry 7o4w coloured by chain, front view.
PDB entry 7o4w coloured by chain, side view.
PDB entry 7o4w coloured by chain, top view.
Source organism: Corynebacterium diphtheriae
Primary publication:
Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for the effectiveness of glycoconjugate vaccine candidates.
Carboni F, Kitowski A, Sorieul C, Veggi D, Marques MC, Oldrini D, Balducci E, Brogioni B, Del Bino L, Corrado A, Angiolini F, Dello Iacono L, Margarit I, Romano MR, Bernardes GJL, Adamo R
OpenAccess logo Chem Sci 13 2440-2449 (2022)
PMID: 35310500

Function and Biology Details

Reaction catalysed: 
NAD(+) + diphthamide-[translation elongation factor 2] = nicotinamide + N-(ADP-D-ribosyl)diphthamide-[translation elongation factor 2]
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180056 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Diphtheria toxin Chain: A
Molecule details ›
Chain: A
Length: 535 amino acids
Theoretical weight: 58.48 KDa
Source organism: Corynebacterium diphtheriae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6NK15 (Residues: 26-560; Coverage: 100%)
Gene names: DIP0222, tox
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand 4Y8 1 x 4Y8
Ligand EDO 3 x EDO
Ligand PGE 2 x PGE
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P3112
Unit cell:
a: 97.996Å b: 97.996Å c: 98.267Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.206 0.204 0.237
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Site-Specific Multi-Functionalization of the Carrier Protein CRM197 by Disulfide Rebridging for Conjugate Vaccine Development.
Trattnig et al. (2022)

2 mentions without citation

Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for the effectiveness of glycoconjugate vaccine candidates.
Carboni et al. (2022)
1 more