6B2Q

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

Summary for 6B2Q

• Entry DOI: 10.2210/pdb6b2q/pdb
• Descriptor: Serine/threonine-protein kinase PknA, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside (3 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 : A5TY85
• Total number of polymer chains: 4
• Total formula weight: 138123.40

Authors

Zuccola, H.J. (deposition date: 2017-09-20, release date: 2018-02-14)

• 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; PubMed: 29259738; DOI: 10.1021/acsmedchemlett.7b00239

Experimental method

X-RAY DIFFRACTION (2.88 Å)