4XU3

Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 90 that has an acyclic ether in place of the ribose

Summary for 4XU3

Entry DOI	10.2210/pdb4xu3/pdb
Related	4XTU 4XTV 4XTW 4XTX 4XTY 4XTZ 4XU0 4XU1 4XU2
Descriptor	Bifunctional ligase/repressor BirA, N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide, CHLORIDE ION, ... (4 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	58131.50
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: 26299766 DOI: 10.1021/acs.jmedchem.5b00719 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.24267703977 Å)

Structure validation