4XTZ

Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 69 that has a fluorine in place of the ribose 2'OH

Summary for 4XTZ

• Entry DOI: 10.2210/pdb4xtz/pdb
• Related: 4XTU 4XTV 4XTW 4XTX 4XTY 4XU0 4XU1 4XU2 4XU3
• Descriptor: Bifunctional ligase/repressor BirA, 9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine (3 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: 58218.07

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; PubMed: 26299766; DOI: 10.1021/acs.jmedchem.5b00719

Experimental method

X-RAY DIFFRACTION (1.90000672805 Å)