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EnzVolNet

COMPUTATIONAL EVOLUTION OF ENZYME VARIANTS THROUGH CONFORMATIONAL NETWORKS

Total Cost €

0

EC-Contrib. €

0

Partnership

0

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 EnzVolNet project word cloud

Explore the words cloud of the EnzVolNet project. It provides you a very rough idea of what is the project "EnzVolNet" about.

experiments    underlying    reduces    efforts    mimicking    models    rules    unviable    counterparts    enzymes    chemical    extracted    cell    catalytic    scope    biology    array    subunits    chemoinformatic    lag    elucidate    allosterically    engineer    proficient    random    reducing    paradigm    enzyme    enormous    accelerating    isolated    ing    protein    tremendous    tools    experimental    variants    perform    alter    economically    beneficial    conformational    heteromeric    mutagenesis    network    reformulating    functional    relies    completely    efficiencies    strategy    substrate    physical    thousands    stand    complexes    regulation    metabolic    biosynthetic    enzvolnet    pressures    regulated    simplifies    stress    alone    revolutionary    principles    catalyze    predictions    initial    evolution    natural    host    selective    computational    mutations    dynamics    alteration    reactions    markov    unfortunately    complexity    structure    nature    orders    modern    costly    functions    magnitude    advantageous    extract    evaluation   

Project "EnzVolNet" data sheet

The following table provides information about the project.

Coordinator
UNIVERSITAT DE GIRONA 

Organization address
address: PLACA SANT DOMENEC 3
city: GIRONA
postcode: 17004
website: www.udg.es

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Spain [ES]
 Project website http://iqcc.udg.edu/wordpress/2017/01/28/marie-curie-fellowship-awarded-javier-iglesias-silvia-osuna/
 Total cost 158˙121 €
 EC max contribution 158˙121 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2016
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2017
 Duration (year-month-day) from 2017-05-01   to  2019-04-30

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITAT DE GIRONA ES (GIRONA) coordinator 158˙121.00

Map

 Project objective

Natural enzymes have evolved to perform their functions under complex selective pressures, being capable of accelerating reactions by several orders of magnitude. In particular, heteromeric enzyme complexes catalyze an enormous array of useful reactions that are often allosterically regulated by different protein partners. Unfortunately, the underlying physical principles of this regulation are still under debate, which makes the alteration of enzyme structure towards useful isolated subunits a tremendous challenge for modern chemical biology. Exploitation of isolated enzyme subunits, however, is advantageous for biosynthetic applications as it reduces the metabolic stress on the host cell and greatly simplifies efforts to engineer specific properties of the enzyme. Current approaches to alter natural enzyme complexes are based on the evaluation of thousands of variants, which make them economically unviable and the resulting catalytic efficiencies lag far behind their natural counterparts. The revolutionary nature of EnzVolNet relies on the application of conformational network models (e.g Markov State Models) to extract the essential functional protein dynamics and key conformational states, reducing the complexity of the enzyme design paradigm and completely reformulating previous computational design approaches. Initial mutations are extracted from costly random mutagenesis experiments and chemoinformatic tools are used to identify beneficial mutations leading to more proficient enzymes. This new strategy will be applied to develop stand-alone enzymes from heteromeric protein complexes, with advantageous biosynthetic properties and improve activity and substrate scope. Experimental evaluation of our computational predictions will finally elucidate the potential of the present approach for mimicking Nature’s rules of evolution.

 Publications

year authors and title journal last update
List of publications.
2018 Miguel A. Maria-Solano, Eila Serrano-Hervás, Adrian Romero-Rivera, Javier Iglesias-Fernández, Sílvia Osuna
Role of conformational dynamics in the evolution of novel enzyme function
published pages: 6622-6634, ISSN: 1359-7345, DOI: 10.1039/c8cc02426j
Chemical Communications 54/50 2019-09-17

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The information about "ENZVOLNET" are provided by the European Opendata Portal: CORDIS opendata.

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