Folding@home project descriptions

Project 11712

Disease Type: Cancer

Study of the whole catalytic cycle of histone methyltransferase SETD8

In projects 11707-11712 we are looking at histone lysine methyltransferase SETD8. This protein has been found overexpressed in a number of cancers including bladder cancer, non-small cell and small cell lung carcinoma, chronic myelogenous leukemia, hepatocellular carcinoma, and pancreatic cancer. In some cancers, it has been found to promote tumorigenesis, and it has been implicated in cancer invasiveness and metastasis [DOI: 10.1186/s13148-016-0268-4]. We are interested in understanding the conformational landscape of SETD8 in as much detail as possible, so that eventually selective small molecule inhibitors and chemical probes can be designed and tested. In these particular projects we’re looking at the histone methyltransferase SETD8 - in 3 different initial conformations - in all possible combinations with its co-factor SAM, by-product SAH, peptide substrate and methylated peptide product - we aim to explore conformations around all possible states of the catalytic cycle of this protein.


This project is managed by Rafal Wiewiora at Memorial Sloan Kettering Cancer Center.

URL: www.choderalab.org

Graduate Student at Chodera Lab, Memorial Sloan Kettering Cancer Center, New York.

Interested in studying conformational dynamics of proteins using Molecular Dynamics and experimental methods, to make rational drug design better, cheaper and faster. Working with histone methyltransferases - a family of epigenetic regulators implicated in many cancers, aging and drug addiction.

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