RESEARCH: CANCER
FOLDING PROJECT #12479 PROFILE

Pin1 is a protein that helps cells communicate. It works by changing the shape of other proteins. Scientists are studying Pin1 because it could be a target for new cancer drugs.

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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Human Pin1

A peptidyl prolyl isomerase (PPI) involved in many cell signaling processes.

Human Pin1 is a protein that plays a crucial role in regulating cellular processes by modifying other proteins. It specifically targets proline residues near phosphorylated serine and threonine amino acids, altering their shape to influence protein function. This is important for various cellular activities like growth, development, and response to signals.

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Peptidyl prolyl isomerase (PPI)

Peptidyl Prolyl Isomerase

A type of enzyme that catalyzes the isomerization of proline residues in proteins. This process is essential for proper protein folding and function.

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Cancer therapeutics

Medical treatments used to fight cancer.

Cancer therapeutics refer to medications and other treatments designed to combat cancer cells. They aim to kill or inhibit the growth of cancerous cells, often targeting specific molecules involved in tumor development.

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Phosphorylated serines

Serine amino acids that have phosphate groups attached.

Phosphorylation is a crucial process in cellular signaling where phosphate groups are added to specific amino acids like serine. This modification alters the protein's shape and function, often activating or deactivating it.

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Threonines

An essential amino acid found in proteins.

Threonine is one of the 20 amino acids that make up proteins. It plays a vital role in protein structure and function, and its specific location within a protein chain can influence its activity.

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Cis/trans isomerization

The process of converting a molecule from one isomeric form to another.

Cis/trans isomerization is a chemical process where a molecule changes its shape by rearranging atoms. In the context of proteins, this involves the rotation around a bond involving a proline residue, influencing protein folding and function.

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Allosteric activation

The process of increasing enzyme activity by binding a molecule to a site other than the active site.

Allosteric activation is a mechanism where a molecule binds to a specific site on an enzyme, not its active site. This binding alters the enzyme's shape, enhancing its activity and allowing it to process substrates more efficiently.

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Conformational dynamics

The changes in shape and structure of molecules over time.

Conformational dynamics refers to the continuous fluctuations in the shape and orientation of molecules. In proteins, these dynamic changes are essential for their function, allowing them to bind to other molecules and carry out specific tasks.