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Article

Mutated form (G52E) of inactive diphtheria toxin CRM197: molecular simulations clearly display effect of the mutation to NAD binding.

Journal of biomolecular structure & dynamics - 1 Nov 2016

Salmas Ramin Ekhteiari, Mestanoglu Mert, Unlu Ayhan, Yurtsever Mine, Durdagi Serdar

Abstract excerpt

Mutated form (G52E) of diphtheria toxin (DT) CRM197 is an inactive and nontoxic enzyme. Here, we provided a molecular insight using comparative molecular dynamics (MD) simulations to clarify the influence of a single point mutation on overall protein and active-site loop. Post-processing MD analysis (i.e. stability, principal component analysis, hydrogen-bond occupancy, etc.) is carried out on both wild and...

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Identifiers

PMID: 26836774
DOI: 10.1080/07391102.2015.1119060

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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