| Full text | |
| Author(s): |
Sayegh, Raphael S. R.
;
Tamaki, Fabio K.
;
Marana, Sandro R.
;
Salinas, Roberto K.
;
Arantes, Guilherme M.
Total Authors: 5
|
| Document type: | Journal article |
| Source: | PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS; v. 84, n. 11, p. 1567-1575, NOV 2016. |
| Web of Science Citations: | 1 |
| Abstract | |
Cdc25B phosphatases are involved in cell cycle checkpoints and have become a possible target for developing new anticancer drugs. A more rational design of Cdc25B ligands would benefit from detailed knowledge of its tertiary structure. The conformational flexibility of the C-terminal region of the Cdc25B catalytic domain has been debated recently and suggested to play an important structural role. Here, a combination of experimental NMR measurements and molecular dynamics simulations for the complete catalytic domain of the Cdc25B phosphatase is presented. The stability of the C-terminal -helix is confirmed, but the last 20 residues in the complete catalytic domain are very flexible, partially occlude the active site and may establish transient contacts with the protein core. This flexibility in the C-terminal tail may modulate the molecular recognition of natural substrates and competitive inhibitors by Cdc25B. Proteins 2016; 84:1567-1575. (c) 2016 Wiley Periodicals, Inc. (AU) | |
| FAPESP's process: | 14/19439-5 - Structural Networks and Functional Properties in Enzymes |
| Grantee: | Sandro Roberto Marana |
| Support Opportunities: | Regular Research Grants |
| FAPESP's process: | 08/55914-9 - (bioen/pronex fapesp) development of beta-glycosidadses designed to improve the efficiency of noncomplexed cellulase systems |
| Grantee: | Sandro Roberto Marana |
| Support Opportunities: | Program for Research on Bioenergy (BIOEN) - Thematic Grants |
| FAPESP's process: | 13/17883-2 - Structure and dynamics of the Na+/Ca2+ exchanger from Drosophila melanogaster |
| Grantee: | Roberto Kopke Salinas |
| Support Opportunities: | Regular Research Grants |
| FAPESP's process: | 14/21900-2 - Development and application of computer simulation and spectroscopical analysis to study metalloenzymes and flexible proteins. |
| Grantee: | Guilherme Menegon Arantes |
| Support Opportunities: | Regular Research Grants |
| FAPESP's process: | 12/00543-1 - Inhibitors Recognition and Flexibility of Cdc25B Phosphatase |
| Grantee: | Raphael Santa Rosa Sayegh |
| Support Opportunities: | Scholarships in Brazil - Doctorate |