6B2P

Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis

Summary for 6B2P

Entry DOI	10.2210/pdb6b2p/pdb
Descriptor	Serine/threonine-protein kinase PknB, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide (2 entities in total)
Functional Keywords	kinase, drug design, tuberculosis, transferase-inhibitor complex, transferase/inhibitor
Biological source	Mycobacterium tuberculosis
Cellular location	Cell membrane ; Single-pass membrane protein : P9WI80
Total number of polymer chains	1
Total formula weight	30684.03
Authors	Zuccola, H.J. (deposition date: 2017-09-20, release date: 2018-02-14, Last modification date: 2024-03-13)
Primary citation	Wang, T.,Bemis, G.,Hanzelka, B.,Zuccola, H.,Wynn, M.,Moody, C.S.,Green, J.,Locher, C.,Liu, A.,Gao, H.,Xu, Y.,Wang, S.,Wang, J.,Bennani, Y.L.,Thomson, J.A.,Muh, U. Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions. ACS Med Chem Lett, 8:1224-1229, 2017 Cited by PubMed: 29259738 DOI: 10.1021/acsmedchemlett.7b00239 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.01 Å)

Structure validation