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 | |
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: 29259738DOI: 10.1021/acsmedchemlett.7b00239 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.88 Å) |
Structure validation
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