3DGQ

Crystal structure of the glutathione transferase PI enzyme in complex with the bifunctional inhibitor, etharapta

Summary for 3DGQ

Entry DOI	10.2210/pdb3dgq/pdb
Related	3DD3
Descriptor	Glutathione S-transferase P, CHLORIDE ION, ETHACRYNIC ACID, ... (7 entities in total)
Functional Keywords	transferase, glutathione, detoxification, etharapta, ruthenium, ethacrynic-acid
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	47656.20
Authors	Parker, L.J. (deposition date: 2008-06-15, release date: 2009-04-21, Last modification date: 2023-11-01)
Primary citation	Ang, W.H.,Parker, L.J.,De Luca, A.,Juillerat-Jeanneret, L.,Morton, C.J.,Lo Bello, M.,Parker, M.W.,Dyson, P.J. Rational design of an organometallic glutathione transferase inhibitor Angew.Chem.Int.Ed.Engl., 48:3854-3857, 2009 Cited by PubMed Abstract: Double trouble: A hybrid organic-inorganic (organometallic) inhibitor was designed to target glutathione transferases. The metal center is used to direct protein binding, while the organic moiety acts as the active-site inhibitor (see picture). The mechanism of inhibition was studied using a range of biophysical and biochemical methods. PubMed: 19396894 DOI: 10.1002/anie.200900185 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation