› 4ae1

X-ray diffraction
2.08Å resolution

Crystal structure of diphtheria toxin mutant CRM197 in complex with nicotinamide

Released:
DOI: 10.2210/pdb4ae1/pdb
PDB entry 4ae1 coloured by chain, front view.
PDB entry 4ae1 coloured by chain, side view.
PDB entry 4ae1 coloured by chain, top view.
Source organism: Corynebacterium diphtheriae
Primary publication:
Structural basis for lack of toxicity of the diphtheria toxin mutant CRM197.
Malito E, Bursulaya B, Chen C, Lo Surdo P, Picchianti M, Balducci E, Biancucci M, Brock A, Berti F, Bottomley MJ, Nissum M, Costantino P, Rappuoli R, Spraggon G
Proc Natl Acad Sci U S A 109 5229-34 (2012)
PMID: 22431623

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-132743 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Diphtheria toxin Chains: A, B
Molecule details ›
Chains: A, B
Length: 535 amino acids
Theoretical weight: 58.48 KDa
Source organism: Corynebacterium diphtheriae
UniProt:
  • Canonical: P00588 (Residues: 33-567; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand NCA 2 x NCA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P1
Unit cell:
a: 65.65Å b: 69.26Å c: 69.68Å
α: 98.36° β: 99.57° γ: 97.76°
R-values:
R R work R free
0.198 0.196 0.244

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Citations

11 review citations

Overcoming the Blood-Brain Barrier: The Role of Nanomaterials in Treating Neurological Diseases.
Furtado et al. (2018)
10 more

2 mentions without citation

An interbacterial NAD(P)(+) glycohydrolase toxin requires elongation factor Tu for delivery to target cells.
Whitney et al. (2015)
1 more