4XJP

Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead

Summary for 4XJP

• Entry DOI: 10.2210/pdb4xjp/pdb
• Related: 4XJL 4XJM 4XJO
• Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone, ... (6 entities in total)
• Functional Keywords: inhibitor complex transaminase plp, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
• Total number of polymer chains: 2
• Total formula weight: 98794.67

Authors

Finzel, B.C.,Dai, R. (deposition date: 2015-01-08, release date: 2016-01-20, 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 (1.6 Å)