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PDBsum entry 4ae1

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protein ligands Protein-protein interface(s) links
Toxin PDB id
4ae1
Jmol PyMol
Contents
Protein chains
501 a.a.
Ligands
NCA ×2
Waters ×252
PDB id:
4ae1
Name: Toxin
Title: Crystal structure of diphtheria toxin mutant crm197 in compl nicotinamide
Structure: Diphtheria toxin. Chain: a, b. Synonym: dt, NAD(+)--diphthamide adp-ribosyltransferase, di toxin fragment a, diphtheria toxin fragment b, crm197. Mutation: yes
Source: Corynebacterium diphtheriae. Organism_taxid: 1717
Resolution:
2.08Å     R-factor:   0.198     R-free:   0.243
Authors: E.Malito,G.Spraggon
Key ref: E.Malito et al. (2012). Structural basis for lack of toxicity of the diphtheria toxin mutant CRM197. Proc Natl Acad Sci U S A, 109, 5229-5234. PubMed id: 22431623 DOI: 10.1073/pnas.1201964109
Date:
04-Jan-12     Release date:   28-Mar-12    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P00588  (DTX_CORBE) -  Diphtheria toxin
Seq:
Struc:
 
Seq:
Struc:
567 a.a.
501 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 1 residue position (black cross)

 Enzyme reactions 
   Enzyme class: E.C.2.4.2.36  - NAD(+)--diphthamide ADP-ribosyltransferase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: NAD+ + diphthamide-[translation elongation factor 2] = nicotinamide + N-(ADP-D-ribosyl)diphthamide-[translation elongation factor 2]
NAD(+)
+ diphthamide-[translation elongation factor 2]
=
nicotinamide
Bound ligand (Het Group name = NCA)
corresponds exactly
+ N-(ADP-D-ribosyl)diphthamide-[translation elongation factor 2]
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     extracellular region   5 terms 
  Biological process     protein transmembrane transport   2 terms 
  Biochemical function     transferase activity     4 terms  

 

 
    Added reference    
 
 
DOI no: 10.1073/pnas.1201964109 Proc Natl Acad Sci U S A 109:5229-5234 (2012)
PubMed id: 22431623  
 
 
Structural basis for lack of toxicity of the diphtheria toxin mutant CRM197.
E.Malito, B.Bursulaya, C.Chen, P.Lo Surdo, M.Picchianti, E.Balducci, M.Biancucci, A.Brock, F.Berti, M.J.Bottomley, M.Nissum, P.Costantino, R.Rappuoli, G.Spraggon.
 
  ABSTRACT  
 
No abstract given.

 

 

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