Advanced search
Start date
Betweenand
Related content
(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Structural insights into the hydrolysis pattern and molecular dynamics simulations of GH45 subfamily a endoglucanase from Neurospora crassa OR74A

Full text
Author(s):
Seiki Kadowaki, Marco Antonio [1] ; Polikarpov, Igor [1]
Total Authors: 2
Affiliation:
[1] Univ Sao Paulo, Sao Carlos Inst Phys, Sao Carlos, SP - Brazil
Total Affiliations: 1
Document type: Journal article
Source: Biochimie; v. 165, p. 275-284, OCT 2019.
Web of Science Citations: 0
Abstract

Glycoside hydrolase (GH) family 45 is one of the smallest and poorly studied endoglucanase family with a broad biotechnological application ranging from treatment of textiles to conversion of complex cell wall polysaccharides into simple oligo- and monosaccharides. In a present study, GH45 cellulase from Neurospora crassa OR74A (NcCel45A) was characterized both biochemically and structurally. HPLC analysis of the hydrolytic products confirmed the endo-beta(1,4) mode of action of the enzyme. Moreover, such pattern revealed that NcCel45A cannot hydrolyze efficiently oligosaccharides with a degree of polymerization smaller than six. The crystal structure of NcCel45A catalytic domain in the apo-form was determined at 1.9 angstrom resolution and the structure of the enzyme bound to cellobiose was solved and refined to 1.8 angstrom resolution. Comparative structural analyses and molecular dynamics simulations show that the enzyme dynamics is affected by substrate binding. Taken together, MD simulations and statistical coupling analysis revealed previously unknown correlation of a loop 6 with the breakdown of cellulose substrates by GH45. (C) 2019 Published by Elsevier B.V. (AU)

FAPESP's process: 15/13684-0 - Structural and functional studies of enzymes that participate in complex carbohydrates synthesis and degradation
Grantee:Igor Polikarpov
Support Opportunities: Research Projects - Thematic Grants
FAPESP's process: 18/11730-3 - Structural and functional studies of xylanases with potential biotechnological application
Grantee:Ana Gabriela Veiga Sepulchro
Support Opportunities: Scholarships in Brazil - Scientific Initiation