RESEARCH: CANCER
FOLDING PROJECT #15305 PROFILE

This project relates to understanding how a special enzyme called ProcM chooses where to attach parts of a unique type of antibiotic called lanthipeptides. Researchers will use computer simulations to study how ProcM works and why it's so good at its job.

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 ribosomally synthesized and post-translationally modified peptides.

Lanthipeptides are a type of antimicrobial peptide produced by bacteria. They are made through a multi-step process involving ribosomes and enzymes. Lanthipeptides have diverse biological activities, including the ability to kill bacteria, fungi, and even cancer cells.

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RiPPs

Ribosomally synthesized and post-translationally modified peptides

RiPPs are a broad class of peptides produced by ribosomes in bacteria. They undergo modifications after synthesis, often leading to potent antimicrobial or other biological activities.

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ProcM

A class II lanthipeptide synthetase

ProcM is an enzyme that catalyzes the synthesis of lanthipeptides. It is notable for its high substrate tolerance and ability to produce diverse lanthipeptides.

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Molecular Dynamics (MD)

A computational method to simulate the movement of atoms and molecules over time.

Molecular Dynamics (MD) simulations are used in computer science to model the behavior of atoms and molecules. These simulations can help researchers understand how proteins fold, how drugs interact with their targets, and other complex biological processes.