Thiopurine methyltransferase (TPMT) methylates thiopurine compounds. Thiopurine drugs such as 6-mercaptopurine (6MP) are used as chemotherapeutic agents. Defective variants of the TPMT enzyme lead to decreased methylation and decreased inactivation of 6MP leading to drug toxicity and side efffects. I have included the 6MP and S-adenosyl- l-homocysteine (SAH) substrates in the active site. PDB: 3BGD.
This is a bespoke model designed for a customer - please contact me if you have a particular molecule request.