5KGT

Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone

Summary for 5KGT

• Entry DOI: 10.2210/pdb5kgt/pdb
• Related: 4W1X 4WY4 4XJO 4XJP 5KGS
• Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone, ... (4 entities in total)
• Functional Keywords: transaminase, plp, transferase, transferase-inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Mycobacterium bovis (strain ATCC BAA-935 / AF2122/97)
• Total number of polymer chains: 2
• Total formula weight: 97909.15

Authors

Maize, K.M.,Divakaran, A.,Aldrich, C.C.,Finzel, B.C. (deposition date: 2016-06-13, release date: 2017-06-14, Last modification date: 2023-09-27)

• Primary citation: Liu, F.,Dawadi, S.,Maize, K.M.,Dai, R.,Park, S.W.,Schnappinger, D.,Finzel, B.C.,Aldrich, C.C.; Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.; J. Med. Chem., 60:5507-5520, 2017; PubMed: 28594172; DOI: 10.1021/acs.jmedchem.7b00189

Experimental method

X-RAY DIFFRACTION (2.25 Å)