4XJO
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead
Summary for 4XJO
Entry DOI | 10.2210/pdb4xjo/pdb |
Related | 4XJL 4XJM 4XJP |
Descriptor | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one, ... (7 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 | 98466.54 |
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 Cited by PubMed: 28594172DOI: 10.1021/acs.jmedchem.7b00189 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.5 Å) |
Structure validation
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