7KE2

Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+ and NSC116565

Summary for 7KE2

• Entry DOI: 10.2210/pdb7ke2/pdb
• Descriptor: Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, ... (4 entities in total)
• Functional Keywords: reductoisomerase, inhibitor, metal binding protein, isomerase, oxidoreductase
• Biological source: Staphylococcus aureus
• Total number of polymer chains: 2
• Total formula weight: 76268.88

Authors

Kurz, J.L.,Patel, K.P.,Guddat, L.W. (deposition date: 2020-10-09, release date: 2021-07-14, Last modification date: 2023-10-18)

• Primary citation: Lin, X.,Kurz, J.L.,Patel, K.M.,Wun, S.J.,Hussein, W.M.,Lonhienne, T.,West, N.P.,McGeary, R.P.,Schenk, G.,Guddat, L.W.; Discovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase.; Chemistry, 27:3130-3141, 2021; PubMed: 33215746; DOI: 10.1002/chem.202004665

Experimental method

X-RAY DIFFRACTION (2.59 Å)