RESEARCH: CANCER
FOLDING PROJECT #15304 PROFILE

This project explores how a special enzyme called ProcM chooses specific spots on a peptide to modify. By using computer simulations, researchers will compare wild-type ProcM with a modified version (ProcA3.3) to understand its decision-making process for creating unique lanthipeptides with various helpful properties like fighting cancer and infections.

Note: This TLDR is a simplication and may not be 100% accurate.

Lanthipeptides are a class of ribosomally synthesized and post-translationally modified peptides (RiPPs) produced from precursor peptides through dehydration and cyclization reactions.

They exhibit a broad range of bioactivities, including anticancer, antimicrobial, antiviral, and antiallodynic effects.

ProcM, a class II lanthipeptide synthetase, is notable for its high substrate tolerance.

Remarkably, this single enzyme can catalyze the cyclization of a diverse array of substrates with high fidelity—an ability that has been extensively leveraged in the bioengineering of novel lanthipeptides.

Despite this, the molecular mechanism by which ProcM determines the site-selectivity of its substrates remains unclear.

In this study, we aim to perform atomic-level molecular dynamics (MD) simulations of the wild-type (WT) and Variant ProcM–ProcA3.3 complexes to investigate the basis of ProcM's site-selectivity.

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Lanthipeptides

A class of antimicrobial peptides synthesized by bacteria.

Lanthipeptides are a type of antibiotic produced by some bacteria. They have a unique structure and function, making them effective against various infections. Researchers are studying their properties to develop new drugs and therapies.

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Ribosomally synthesized and post-translationally modified peptides (RiPPs)

Ribosomally synthesized and post-translationally modified peptides (RiPPs)

RiPPs are a group of peptides that are made by ribosomes in bacteria. They undergo further modifications after synthesis, giving them specific properties and functions.

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ProcM

A class II lanthipeptide synthetase

ProcM is an enzyme that helps in the production of lanthipeptides. It's particularly good at working with a variety of substrates, making it valuable for creating new types of these antibiotic peptides.

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Site-selectivity

The ability of an enzyme to act on a specific site or location within a molecule.

Site-selectivity refers to the precision with which an enzyme binds and acts on a particular target molecule. In the case of ProcM, understanding its site-selectivity is crucial for designing new lanthipeptides with desired properties.

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Molecular dynamics (MD) simulations

A computer-based method for simulating the movement of atoms and molecules.

Molecular dynamics simulations are used to study how molecules interact and behave over time. This technique helps researchers understand complex biological processes at the atomic level.