6DKO

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid

Summary for 6DKO

Entry DOI	10.2210/pdb6dko/pdb
Descriptor	Malate synthase G, MAGNESIUM ION, 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid, ... (4 entities in total)
Functional Keywords	acetyltransferase, structural genomics, tb structural genomics consortium, tbsgc, transferase, transferase-transferase inhibitor complex, psi-2, protein structure initiative, lyase, lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	1
Total formula weight	80757.80
Authors	Krieger, I.V.,Sacchettini, J.C.,TB Structural Genomics Consortium (TBSGC) (deposition date: 2018-05-30, release date: 2018-09-05, Last modification date: 2023-10-11)
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 (1.556 Å)

Structure validation