6DNP
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-3-Methyl-6-F-phenyldiketoacid
Summary for 6DNP
Entry DOI | 10.2210/pdb6dnp/pdb |
Descriptor | Malate synthase G, MAGNESIUM ION, (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, ... (5 entities in total) |
Functional Keywords | acetyltransferase, structural genomics, tb structural genomics consortium, tbsgc, psi-2, protein structure initiative, mycobacterium tuberculosis structural proteomics project, xmtb, lyase, lyase-lyase inhibitor complex, lyase/lyase inhibitor |
Biological source | Mycobacterium tuberculosis |
Total number of polymer chains | 1 |
Total formula weight | 80901.73 |
Authors | Krieger, I.V.,Sacchettini, J.C.,TB Structural Genomics Consortium (TBSGC),Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) (deposition date: 2018-06-07, 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: 30137983DOI: 10.1021/acs.jcim.8b00417 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.711 Å) |
Structure validation
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