4XU1
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 82 that incorporates a morpholine in place of the ribose
Summary for 4XU1
Entry DOI | 10.2210/pdb4xu1/pdb |
Related | 4XTU 4XTV 4XTW 4XTX 4XTY 4XTZ 4XU0 4XU2 4XU3 |
Descriptor | Bifunctional ligase/repressor BirA, [(2S,6R)-6-(6-amino-9H-purin-9-yl)morpholin-2-yl]methyl {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate, 1,2-ETHANEDIOL, ... (5 entities in total) |
Functional Keywords | biotin-protein ligase, bisubstrate inhibitor, ligase-ligase inhibitor complex, ligase/ligase inhibitor |
Biological source | Mycobacterium tuberculosis |
Total number of polymer chains | 2 |
Total formula weight | 58398.45 |
Authors | De la Mora-Rey, T.,Finzel, B.C. (deposition date: 2015-01-24, release date: 2015-09-02, Last modification date: 2023-09-27) |
Primary citation | Bockman, M.R.,Kalinda, A.S.,Petrelli, R.,De la Mora-Rey, T.,Tiwari, D.,Liu, F.,Dawadi, S.,Nandakumar, M.,Rhee, K.Y.,Schnappinger, D.,Finzel, B.C.,Aldrich, C.C. Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58:7349-7369, 2015 Cited by PubMed: 26299766DOI: 10.1021/acs.jmedchem.5b00719 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.70001332019 Å) |
Structure validation
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