Unique properties of Zika NS2B-NS3pro complexes as decoded by experiments and MD simulations

Amrita Roy; Liangzhong Lim; Shagun Srivastava; Jianxing Song

As shown in Table 1 , linked and unlinked Zika complexes only have slightly different kinetic constants. On the other hand, the linked Zika complex showed much larger differences from those of Dengue complexes (17) . For example, linked Zika complex has a Km of 43.38 µM, which is ~7 folds of the Dengue 1 (6.2 µM); ~3.6 folds of the Dengue 2 and Dengue 3 (12 µM); and ~6 folds of the Dengue 4 (7.3 µM) on the same substrate. This implies that the Zika complex has the lower affinity to this substrate than all four Dengue ones. However, the linked Zika NS2B-NS3pro has a kcat (48.89 S -1 ) much larger than those of all four Dengue (0.32, 1.4, 0.61 and 2.8 S -1 respectively). Consequently, the catalytic efficiency as reflected by kcat/Km (1,128,681 M -1 S -1 ) is ~3 folds of that of Dengue 4 (380,000 M -1 S -1 ), the largest among the four Dengue complexes (17) . author/funder. All rights reserved. No reuse allowed without permission.