7Q52

Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W

This is a non-PDB format compatible entry.

Summary for 7Q52

• Entry DOI: 10.2210/pdb7q52/pdb
• Descriptor: Serine/threonine-protein kinase PknG, FE (III) ION, 2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide, ... (5 entities in total)
• Functional Keywords: tuberculosis, inhibitor, l2w, transferase
• Biological source: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
• Total number of polymer chains: 1
• Total formula weight: 36734.39

Authors

Defelipe, L.A.,Burastero, O.,Bento, I.,Garcia-Alai, M.M. (deposition date: 2021-11-02, release date: 2022-06-22, Last modification date: 2024-01-31)

• Primary citation: Burastero, O.,Defelipe, L.A.,Gola, G.,Tateosian, N.L.,Lopez, E.D.,Martinena, C.B.,Arcon, J.P.,Traian, M.D.,Wetzler, D.E.,Bento, I.,Barril, X.,Ramirez, J.,Marti, M.A.,Garcia-Alai, M.M.,Turjanski, A.G.; Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.; J.Med.Chem., 65:9691-9705, 2022; PubMed: 35737472; DOI: 10.1021/acs.jmedchem.1c02012

Experimental method

X-RAY DIFFRACTION (2.35 Å)