RESEARCH: CANCER
FOLDING PROJECT #15300 PROFILE

Lanthipeptides are powerful natural compounds that can fight diseases. ProcM is a special enzyme that makes these compounds, but scientists don't fully understand how it chooses the right spot to build them. This project uses computer simulations to study how ProcM works at the atomic level, hoping to unlock its secrets and create even better medicines.

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 peptides with post-translational modifications.

Lanthipeptides are a type of antibiotic produced by bacteria. They have a unique structure that allows them to kill other bacteria. Researchers are studying lanthipeptides for their potential use in new drugs.

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Ribosomally synthesized and post-translationally modified peptides (RiPPs)

Ribosomally synthesized and post-translationally modified peptides

RiPPs are a class of antibiotics produced by bacteria. They are made in the ribosome like other proteins, but then undergo further modifications after they are made.

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ProcM

Lanthipeptide synthetase enzyme

ProcM is an enzyme that helps bacteria make lanthipeptides. Scientists are studying ProcM to learn how it works and how it can be used to create new antibiotics.

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Substrate tolerance

The ability of an enzyme to act on a variety of molecules.

Substrate tolerance is important for enzymes like ProcM because it allows them to make different types of antibiotics.

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Molecular dynamics (MD) simulations

Computer simulations of molecular movement and interactions.

MD simulations are used to study how molecules move and interact. They can be used to understand how enzymes like ProcM work.

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Site-selectivity

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

Site-selectivity is important for enzymes like ProcM because it allows them to make specific types of antibiotics.