RESEARCH: CANCER
FOLDING PROJECT #12476 PROFILE

Pin1 is a protein that helps cells communicate. It changes shape when it binds to other molecules, which activates it and allows it to do its job. This project uses computer simulations to understand how Pin1 changes shape and becomes active.

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

Human Pin1 is a peptidyl prolyl isomerase (PPI) involved in many cell signaling processes and a target for cancer therapeutics.

The job of this protein is to recognize proline residues next to phosphorylated serines and threonines, and catalyze the cis/trans isomerization of the proline backbone. Pin1 has two domains that both recognize these motifs: a catalytic domain, and a so-called WW domain, which exists in a conformational equilibrium between and a compact and extended state.

When peptide substrates are present, there is a shift in the conformational equilibrium between compact and extended states, which is in turn coupled to allosteric changes in the catalytic domain that activates the enzyme. The purpose of these simulations is to better learn about the function of Pin1 by modeling the conformational dynamics involved in its allosteric activation.

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Peptidyl prolyl isomerase

An enzyme that catalyzes the interconversion of cis and trans isomers of proline residues in peptides.

Peptidyl prolyl isomerases (PPIs) are enzymes that play a crucial role in protein folding by catalyzing the rearrangement of bonds between proline amino acids. This process affects how proteins fold and function, influencing various cellular processes.

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PPI

Peptidyl prolyl isomerase

PPI stands for Peptidyl prolyl isomerase, a type of enzyme that plays a vital role in protein folding by facilitating the conversion between different conformations of peptide bonds involving proline amino acids.

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Cancer therapeutics

Treatments designed to prevent, control, or cure cancer.

Cancer therapeutics encompass a wide range of medical interventions aimed at treating various types of cancer. These treatments include chemotherapy, radiation therapy, immunotherapy, and targeted therapies.

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Cell signaling

The process by which cells communicate with each other.

Cell signaling is a fundamental biological process that enables cells to receive, process, and transmit information. Through various signaling pathways, cells can respond to stimuli, coordinate activities, and maintain homeostasis.

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Phosphorylated

Modified by the addition of a phosphate group.

Phosphorylation is a crucial process in which a phosphate group is added to a molecule, often a protein. This modification can alter the function and activity of the molecule, playing a vital role in regulating various cellular processes.

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Proline

A non-polar amino acid with a unique cyclic structure.

Proline is a unique amino acid characterized by its cyclic structure. Its presence in proteins can influence protein folding and stability due to its rigid nature and ability to disrupt alpha-helical structures.

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Cis/trans isomerization

The conversion between two stereoisomers of a molecule, cis and trans.

Cis/trans isomerization refers to the reversible interconversion between two spatial arrangements of atoms around a double bond or ring structure. This process can significantly affect the properties and function of molecules.

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Allosteric activation

The process by which a molecule binds to a site other than the active site of an enzyme and increases its activity.

Allosteric activation is a mechanism of enzyme regulation where binding of a molecule to a specific site on an enzyme (allosteric site) enhances the enzyme's catalytic activity at its active site. This process often involves conformational changes in the enzyme.