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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.)

Modeling and molecular dynamics indicate that snake venom phospholipase B-like enzymes are Ntn-hydrolases

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Author(s):
Coronado, Monika Aparecida [1] ; Olivier, Danilo da Silva [1] ; Eberle, Raphael Josef [1] ; do Amaral, Marcos Serrou [2] ; Arni, Raghuvir Krishnaswamy [1]
Total Authors: 5
Affiliation:
[1] Univ Estadual Paulista, Dept Phys, Multiuser Ctr Biomol Innovat, UNESP, Ibilce, Sao Jose Do Rio Preto, SP - Brazil
[2] Univ Fed Mato Grosso do Sul, Inst Phys, Campo Grande, MS - Brazil
Total Affiliations: 2
Document type: Review article
Source: Toxicon; v. 153, p. 106-113, OCT 2018.
Web of Science Citations: 1
Abstract

Phospholipase-B-like (SVPLB-like) enzymes are present in relatively small amounts in a number of venoms, however, their biological function and mechanisms of action are un-clear. A three-dimensional model of the SVPLB-like enzyme from Crotalus adamanteus was generated by homology modeling based on the crystal structures of bovine Ntn-hydrolyases and the modeled protein possesses conserved domains characteristic of Ntn-hydrolases. Molecular dynamics simulations indicate that activation by autocatalytic cleavage results in the removal of 25 amino acids which increases accessibility to the active site. SVPLB-like enzymes possess a highly reactive cysteine and are hence amidases that to belong to the N-terminal nucleophile (Ntn) hydrolase family. The Ntn-hydrolases (N-terminal nucleophile) form a superfamily of diverse enzymes that are activated auto catalytically; wherein the N-terminal catalytic nucleophile is implicated in the cleavage of the amide bond. (AU)

FAPESP's process: 09/53989-4 - Acquisition of a nuclear magnetic resonance spectrometer for studies of biomolecules
Grantee:Raghuvir Krishnaswamy Arni
Support type: Multi-user Equipment Program
FAPESP's process: 16/08104-8 - Structural and functional aspects of two DNA binding proteins encoded by Corynebacterium pseudotuberculosis
Grantee:Raphael Josef Eberle
Support type: Scholarships in Brazil - Post-Doctorate
FAPESP's process: 16/12904-0 - Mechanism and Molecular Interactions of Bioactive molecules with NS3 protease from Zika virus.
Grantee:Monika Aparecida Coronado
Support type: Scholarships in Brazil - Post-Doctorate
FAPESP's process: 15/18868-2 - Multi-user equipment acquisition for molecular and structural biology
Grantee:Raghuvir Krishnaswamy Arni
Support type: Multi-user Equipment Program
FAPESP's process: 15/13765-0 - Structural Studies and Characterization of Proteins by X-ray Crystallography and Nuclear Magnetic Resonance. Structural investigations and biophysics of molecular mechanisms of functional proteins.
Grantee:Raghuvir Krishnaswamy Arni
Support type: Regular Research Grants