RESEARCH: CANCER
FOLDING PROJECT #18226 PROFILE

This project uses computer simulations to study Phosphoglycerate kinase (PGK), a protein vital for energy production in cells. The project looks at how PGK's shape changes when it binds to different molecules, like its products and building blocks. Understanding PGK is important because problems with this protein can cause diseases like anemia and cancer.

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

In this project we simulate the protein Phosphoglycerate kinase (PGK), a vital component in cell metabolism (specifically glycolysis, the processing of sugar into ATP for the cell).

PGK catalyzes the conversion of 1,3 bisphosphoglycerate to 3-phosphoglycerate generating one molecule of ATP in the process.

While the biochemical activity of PGK has been long understoon, how this process is achieved from a structural perspective is less well known. PGK deficiencies lead to hemolytic anemia and myopathy, over-expression has been linked to a variety of cancers, and PGK can metabolize a variety of different drugs.

We hope that simulations of PGK will lead to a better understanding of how PGK completes these essential catalytic activities. Our experimental collaborators have identified major shifts in PGK conformations as a function of the ligands (small molecules) bound to PGK.

In 18224, we simulate PGK in the unbound state.

In 18225, we simulate PGK with one of it's products (ADP) bound.

In 18226, we simulate PGK with one of it's substrates (ATP) bound.

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Phosphoglycerate kinase

An enzyme that catalyzes the conversion of 1,3-bisphosphoglycerate to 3-phosphoglycerate in glycolysis.

Phosphoglycerate kinase (PGK) is an important enzyme involved in breaking down sugar molecules for energy production within cells. It plays a key role in glycolysis, a process that converts glucose into ATP, the cell's primary energy source. PGK catalyzes a specific step in this pathway, converting 1,3-bisphosphoglycerate to 3-phosphoglycerate while generating one molecule of ATP.

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Glycolysis

The metabolic pathway that converts glucose into pyruvate.

Glycolysis is the fundamental process by which cells break down glucose to release energy. It involves a series of chemical reactions that occur in the cytoplasm, converting one molecule of glucose into two molecules of pyruvate. This process generates a small amount of ATP, the cell's primary energy currency, and provides intermediates for other metabolic pathways.

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ATP

Adenosine triphosphate

ATP (adenosine triphosphate) is the primary energy currency of cells. It's a molecule that stores and releases energy when its phosphate bonds are broken. ATP is essential for various cellular processes, including muscle contraction, nerve impulse transmission, protein synthesis, and active transport.

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Hemolytic anemia

A condition characterized by the destruction of red blood cells.

Hemolytic anemia is a medical condition where red blood cells are destroyed faster than the bone marrow can produce them. This can lead to a shortage of healthy red blood cells, resulting in symptoms such as fatigue, weakness, shortness of breath, and pale skin. Various factors can cause hemolytic anemia, including genetic disorders, infections, autoimmune diseases, and certain medications.

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Myopathy

A disease or disorder that affects muscle tissue.

Myopathy is a broad term referring to any condition that causes weakness, pain, or other problems in the muscles. There are many different types of myopathies, caused by various factors such as genetic defects, infections, autoimmune disorders, and toxins. Symptoms can range from mild muscle soreness to severe muscle weakness, making it difficult to perform daily activities.

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Cancer

A group of diseases characterized by uncontrolled cell growth.

Cancer is a complex group of diseases characterized by abnormal and uncontrolled cell growth. These cells can invade surrounding tissues and spread to other parts of the body (metastasis). There are many different types of cancer, each affecting specific organs or tissues. Treatment options vary depending on the type and stage of cancer.