protein engineering

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Structure-based Protein Design and Engineerin What can it do for you? How it works? Health, Environment and Technology Molecular Modelling Mini Tutorial

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Protein structure computational design and engineering. Application to proteins, enzymes, peptidomimetics, peptides, vaccines, antibodies

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Page 1: Protein Engineering

Structure-based Protein Design and Engineering

• What can it do for you?

• How it works?

Health, Environment and Technology

Molecular Modelling Mini Tutorial

Page 2: Protein Engineering

Protein-based Technologies are widely used in our daily life

Health Environment Technology

Molecular Modelling Mini Tutorial

Page 3: Protein Engineering

Proteins Enzymes and Peptides are made of a sequence of aminoacids

1 MASPFALLMV LVVLSCKSSC SLGCDLPETH SLDNRRTLML LAQMSRISPS SCLMDRHDFG 61 FPQEEFDGNQ FQKAPAISVL HELIQQIFNL FTTKDSSAAW DEDLLDKFCT ELYQQLNDLE121 ACVMQEERVG ETPLMNADSI LAVKKYFRRI TLYLTEKKYS PCAWEVVRAE IMRSLSLSTN181 LQERLRRKE

This is the sequence of a well known protein.

Can you guess what it is, what it does and how it performs it function?

Molecular Modelling Mini Tutorial

Page 4: Protein Engineering

Protein function can be understoodby its 3D molecular structure

Protein structures can be determined by:

X-ray NMR Homology Modelling

Molecular Modelling Mini Tutorial

Page 5: Protein Engineering

Do you have a sequence and want to …

• Know it’s structure

• Understand it’s function

• Improve it’s native properties

• Perform targeted mutations

• Improve structure specific features

Molecular Modelling Mini Tutorial

Page 6: Protein Engineering

Bimolecular Modelling can help you!

Active site Protein-proteinaggregation site

Conserved domain

Mobile domainHydrophobicpatch

We model a 3D structure

from your sequence, and provide

detailed structural and dynamic

insights concerning it’s function

Molecular Modelling Mini Tutorial

Page 7: Protein Engineering

What about engineering improvedprotein function and structure?

Focus your effort on the most

promising recombinant proteins

predicted by our computer-aided

protein structure design platform

We can perform large scale

aminoacid mutation screening,

so you can focus your effort on

the most promising

recombinant proteins.

Molecular Modelling Mini Tutorial

Page 8: Protein Engineering

Molecular Modelling can support your research & development effort on:

• Vaccines

• Antibodies

• Peptides

• Peptidomimetics

• Enzymes

• Other protein-based technologies

Molecular Modelling Mini Tutorial

Dr. Nuno MicaeloResearcher, Aveiro University

[email protected]