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Correlating functional divergence and dynamical variations in the pancreatic-type ribonuclease superfamily

Narayanan, Chitra; Bernard, David; Bafna, Khushboo; Choudhary, Om P; Chennubhotla, Chakra; Agarwal, Pratul K; Doucet, Nicolas . Correlating functional divergence and dynamical variations in the pancreatic-type ribonuclease superfamily In: 2nd Protein Engineering Canada Conference (PEC), 17-19 juin 2016, Ottawa, Canada.

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Résumé

Correlation between conformational dynamics and enzyme function has been well established for discrete enzyme systems; however, approaches for characterizing dynamical properties across diverse sequence homologs and their correlation with enzyme act ivity remain challenging. Members of the pancreatic-type ribonuclease (RNase) superfamily share similarities in structure and fold, but display large variations in catalytic efficiencie s and dynamics, making them ideal model systems to probe the relationship between conformational motions and function. Using a combination of bioinformatics, molecular dynamics simulations a nd NMR approaches, we characterized the dynamical properties of over 20 diverse RNase homologs, whose three- dimensional structures have been determined using X-ray crystal lography or NMR approaches, over a wide range of time-scales.Our results show that while th e different RNase homologs used for the analysis share a common structural fold, the dynamical properties of these enzymes are significantly different. Clustering these RNase sequences into evolutionarily distinct sub-families showed similar dynamical properti es within sub-family members a nd significant differences between distinct sub-families. Interestingly, sequences sharing the same biological function also display similar dynamical patterns, suggesting that biological function, among other factors, may potentially impact dynamical pr operties influencing sequence, s tructure and function.

Type de document: Document issu d'une conférence ou d'un atelier
Mots-clés libres: -
Centre: Centre INRS-Institut Armand Frappier
Date de dépôt: 01 mai 2018 15:31
Dernière modification: 01 mai 2018 15:43
URI: http://espace.inrs.ca/id/eprint/5791

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