TY  - JOUR
AU  - Puhl, Ana C.
AU  - Prates, Erica T.
AU  - Rosseto, Flávio R.
AU  - Manzine, Livia R.
AU  - Stanković, Ivana
AU  - de Araújo, Simara S.
AU  - Alvarez, Thabata M.
AU  - Squina, Fábio M.
AU  - Skaf, Munir S.
AU  - Polikarpov, Igor
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6083
AB  - Cellulases are essential enzymatic components for the transformation of plant biomass into fuels, renewable ma-
terials and green chemicals. Here, we determined the crystal structure, pattern of hydrolysis products release,
and conducted molecular dynamics simulations of the major endoglucanase from the Xanthomonas campestris
pv. campestris (XccCel5A). XccCel5A has a TIM barrel fold with the catalytic site centrally placed in a binding
groove surrounded by aromatic side chains. Molecular dynamics simulations show that productive position of
the substrate is secured by a network of hydrogen bonds in the four main subsites, which differ in details from
homologous structures. Capillary zone electrophoresis and computational studies reveal XccCel5A can act both
as endoglucanase and licheninase, but there are preferable arrangements of substrate regarding β-1,3 and β-
1,4 bonds within the binding cleft which are related to the enzymatic efficiency.
PB  - Elsevier B.V.
T2  - International Journal of Biological Macromolecules
T1  - Crystallographic structure and molecular dynamics simulations of the major endoglucanase from Xanthomonas campestris pv. campestris shed light on its oligosaccharide products release pattern
VL  - 136
SP  - 493
EP  - 502
DO  - 10.1016/j.ijbiomac.2019.06.107
ER  - 

@article{
author = "Puhl, Ana C. and Prates, Erica T. and Rosseto, Flávio R. and Manzine, Livia R. and Stanković, Ivana and de Araújo, Simara S. and Alvarez, Thabata M. and Squina, Fábio M. and Skaf, Munir S. and Polikarpov, Igor",
year = "2019",
abstract = "Cellulases are essential enzymatic components for the transformation of plant biomass into fuels, renewable ma-
terials and green chemicals. Here, we determined the crystal structure, pattern of hydrolysis products release,
and conducted molecular dynamics simulations of the major endoglucanase from the Xanthomonas campestris
pv. campestris (XccCel5A). XccCel5A has a TIM barrel fold with the catalytic site centrally placed in a binding
groove surrounded by aromatic side chains. Molecular dynamics simulations show that productive position of
the substrate is secured by a network of hydrogen bonds in the four main subsites, which differ in details from
homologous structures. Capillary zone electrophoresis and computational studies reveal XccCel5A can act both
as endoglucanase and licheninase, but there are preferable arrangements of substrate regarding β-1,3 and β-
1,4 bonds within the binding cleft which are related to the enzymatic efficiency.",
publisher = "Elsevier B.V.",
journal = "International Journal of Biological Macromolecules",
title = "Crystallographic structure and molecular dynamics simulations of the major endoglucanase from Xanthomonas campestris pv. campestris shed light on its oligosaccharide products release pattern",
volume = "136",
pages = "493-502",
doi = "10.1016/j.ijbiomac.2019.06.107"
}

Puhl, A. C., Prates, E. T., Rosseto, F. R., Manzine, L. R., Stanković, I., de Araújo, S. S., Alvarez, T. M., Squina, F. M., Skaf, M. S.,& Polikarpov, I.. (2019). Crystallographic structure and molecular dynamics simulations of the major endoglucanase from Xanthomonas campestris pv. campestris shed light on its oligosaccharide products release pattern. in International Journal of Biological Macromolecules
Elsevier B.V.., 136, 493-502.
https://doi.org/10.1016/j.ijbiomac.2019.06.107

Puhl AC, Prates ET, Rosseto FR, Manzine LR, Stanković I, de Araújo SS, Alvarez TM, Squina FM, Skaf MS, Polikarpov I. Crystallographic structure and molecular dynamics simulations of the major endoglucanase from Xanthomonas campestris pv. campestris shed light on its oligosaccharide products release pattern. in International Journal of Biological Macromolecules. 2019;136:493-502.
doi:10.1016/j.ijbiomac.2019.06.107 .

Puhl, Ana C., Prates, Erica T., Rosseto, Flávio R., Manzine, Livia R., Stanković, Ivana, de Araújo, Simara S., Alvarez, Thabata M., Squina, Fábio M., Skaf, Munir S., Polikarpov, Igor, "Crystallographic structure and molecular dynamics simulations of the major endoglucanase from Xanthomonas campestris pv. campestris shed light on its oligosaccharide products release pattern" in International Journal of Biological Macromolecules, 136 (2019):493-502,
https://doi.org/10.1016/j.ijbiomac.2019.06.107 . .