6AU9

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid

Summary for 6AU9

Entry DOI	10.2210/pdb6au9/pdb
Related	6AS6 6ASU
Descriptor	Malate synthase G, MAGNESIUM ION, (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid, ... (5 entities in total)
Functional Keywords	acetyltransferase, structural genomics, tb structural genomics consortium, tbsgc, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	1
Total formula weight	81049.60
Authors	Krieger, I.V.,Sacchettini, J.C.,TB Structural Genomics Consortium (TBSGC) (deposition date: 2017-08-31, release date: 2018-09-05, Last modification date: 2023-10-04)
Primary citation	Ellenbarger, J.F.,Krieger, I.V.,Huang, H.L.,Gomez-Coca, S.,Ioerger, T.R.,Sacchettini, J.C.,Wheeler, S.E.,Dunbar, K.R. Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58:2085-2091, 2018 Cited by PubMed: 30137983 DOI: 10.1021/acs.jcim.8b00417 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation