RESEARCH: CANCER
FOLDING PROJECT #15301 PROFILE

This project looks at how a special enzyme called ProcM picks specific spots on molecules to change them. By using computer simulations, scientists hope to understand how ProcM works so well and maybe even design new enzymes for medicine.

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

Class of ribosomally synthesized peptides with diverse bioactivities.

Lanthipeptides are a type of antibiotic produced by bacteria. They work by interfering with the growth and survival of other microorganisms. Scientists are researching lanthipeptides for their potential to treat infections that are resistant to existing antibiotics.

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Ribosomally synthesized and post-translationally modified peptides (RiPPs)

Ribosomally synthesized and post-translationally modified peptides (RiPPs)

RiPPs are a class of peptides that are produced by ribosomes in bacteria. They undergo further modifications after synthesis, making them potent antimicrobial agents.

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ProcM

ProcM: Class II lanthipeptide synthetase

ProcM is an enzyme that helps produce lanthipeptides. It's particularly interesting because it can work with a wide variety of different substrates.

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Molecular Dynamics (MD) Simulations

Computer simulations of molecular movements and interactions over time.

Molecular Dynamics (MD) Simulations are computer programs that allow scientists to see how molecules move and interact with each other. This helps us understand how proteins work and design new drugs.

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Site-selectivity

The ability of an enzyme to choose a specific binding site on a substrate.

Site-selectivity refers to an enzyme's ability to bind to a particular location on its target molecule. This precision is crucial for many biological processes and drug development.