5KGS
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one
Summary for 5KGS
Entry DOI | 10.2210/pdb5kgs/pdb |
Related | 4W1X 4WY4 4XJO 4XJP 5KGT |
Descriptor | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, ... (5 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 | 98596.46 |
Authors | Maize, K.M.,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 Cited by PubMed: 28594172DOI: 10.1021/acs.jmedchem.7b00189 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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