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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Conformational flexibility of the complete catalytic domain of Cdc25B phosphatases

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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 - Development of beta-glycosidases 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