RESEARCH: CANCER
FOLDING PROJECT #18923 PROFILE

This project relates to understanding how a special enzyme called ProcM picks the right spot on molecules to make new medicines. Researchers will use computer simulations to see how ProcM works in two different versions, hoping to unlock secrets for creating better drugs.

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

Lanthipeptides are ribosomally synthesized and post-translationally modified peptides that are generated from precursor peptides through a dehydration and cyclization process.

Lanthipeptides have demonstrated a variety of bioactivities, including anticancer, antimicrobial, antiviral, and antiallodynic activities.

ProcM, a class II lanthipeptide synthetase, demonstrates high substrate tolerance.

It is enigmatic that a single enzyme can catalyze the cyclization process of many substrates with high fidelity.

This feature has been widely utilized for bioengineering of novel lanthipeptides.

However, the molecular mechanism about how ProcM determines site-selectivity of its substrates is still unclear.

In this study, we would like to run atomic-level MD simulation for WT and Variant ProcM-ProcA3.3 complex to explore the site-selectivity of ProcM.

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Lanthipeptides

Ribosomally synthesized and post-translationally modified peptides.

Lanthipeptides are a class of antibiotics produced by bacteria. They are unique because they contain unusual amino acids that give them potent antimicrobial activity. Scientists are studying lanthipeptides to develop new drugs against antibiotic-resistant bacteria.

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Ribosomally synthesized

The process of peptide production within ribosomes.

Ribosomes are cellular machines that build proteins. Ribosomally synthesized peptides are created by this process and often have specific functions like antibiotic activity.

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Post-translationally modified

Chemical changes made to a peptide after its initial synthesis.

Post-translational modifications are crucial for proteins to perform their specific roles. In the case of lanthipeptides, these modifications create unique structures that give them their antimicrobial properties.

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ProcM

Class II lanthipeptide synthetase.

ProcM is an enzyme that plays a key role in the production of lanthipeptides. Scientists are studying ProcM to understand how it works and potentially use it to create new antibiotics.

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MD simulation

A computer simulation of molecular dynamics.

MD simulations allow researchers to study how molecules move and interact at the atomic level. This can help us understand complex biological processes like enzyme function.

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Site-selectivity

The ability of an enzyme to selectively act on a particular substrate.

Site-selectivity is important for enzymes because it allows them to perform their specific functions accurately. In the case of ProcM, its site-selectivity determines which substrates it can modify to produce different types of lanthipeptides.