6MJY

M. thermoresistible GuaB2 delta-CBS in complex with 6Cl-IMP

Summary for 6MJY

Entry DOI	10.2210/pdb6mjy/pdb
Descriptor	Inosine-5'-monophosphate dehydrogenase, 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE (3 entities in total)
Functional Keywords	complex, fragment, impdh, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Mycobacterium thermoresistibile More
Total number of polymer chains	1
Total formula weight	40222.14
Authors	Ascher, D.B.,Pacitto, A.,Blundell, T.L. (deposition date: 2018-09-23, release date: 2019-09-25, Last modification date: 2023-10-11)
Primary citation	Trapero, A.,Pacitto, A.,Chan, D.S.,Abell, C.,Blundell, T.L.,Ascher, D.B.,Coyne, A.G. Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH). Bioorg.Med.Chem.Lett., 30:126792-126792, 2020 Cited by PubMed Abstract: Inosine-5'-monophosphate dehydrogenase (IMPDH) is a rate-limiting enzyme involved in nucleotide biosynthesis. Because of its critical role in purine biosynthesis, IMPDH is a drug design target for immunosuppressive, anticancer, antiviral and antimicrobial chemotherapy. In this study, we use mass spectrometry and X-ray crystallography to show that the inhibitor 6-Cl-purine ribotide forms a covalent adduct with the Cys-341 residue of Mycobacterium thermoresistibile IMPDH. PubMed: 31757668 DOI: 10.1016/j.bmcl.2019.126792 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.56 Å)

Structure validation