Mechanism of lignin inhibition of enzymatic biomass deconstruction

Vermaas, Josh V.; Petridis, Loukas; Qi, Xianghong; Schulz, Roland; Lindner, Benjamin; Smith, Jeremy. C.

doi:10.1186/s13068-015-0379-8

Title: Mechanism of lignin inhibition of enzymatic biomass deconstruction

Journal Article · Mon Dec 21 00:00:00 EST 2015 · Biotechnology for Biofuels

DOI:https://doi.org/10.1186/s13068-015-0379-8· OSTI ID:1618632

Vermaas, Josh V.; Petridis, Loukas; Qi, Xianghong; Schulz, Roland; Lindner, Benjamin; Smith, Jeremy. C.

Here, the conversion of plant biomass to ethanol via enzymatic cellulose hydrolysis offers a potentially sustainable route to biofuel production. However, the inhibition of enzymatic activity in pretreated biomass by lignin severely limits the efficiency of this process. As a result, by performing atomic-detail molecular dynamics simulation of a biomass model containing cellulose, lignin, and cellulases (TrCel7A), we elucidate detailed lignin inhibition mechanisms. We find that lignin binds preferentially both to the elements of cellulose to which the cellulases also preferentially bind (the hydrophobic faces) and also to the specific residues on the cellulose-binding module of the cellulase that are critical for cellulose binding of TrCel7A (Y466, Y492, and Y493). In conclusion, lignin thus binds exactly where for industrial purposes it is least desired, providing a simple explanation of why hydrolysis yields increase with lignin removal.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Organization:: USDOE Office of Science (SC), Biological and Environmental Research (BER)

Grant/Contract Number:: FWP ERKP752; AC05-00OR22725; FG02-97ER25308

OSTI ID:: 1618632

Alternate ID(s):: OSTI ID: 1260590; OSTI ID: 1327644

Journal Information:: Biotechnology for Biofuels, Journal Name: Biotechnology for Biofuels Vol. 8 Journal Issue: 1; ISSN 1754-6834

Publisher:: Springer Science + Business MediaCopyright Statement

Country of Publication:: Netherlands

Language:: English

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Cited by: 153 works

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Elementary budget of stag beetle larvae associated with selective utilization of nitrogen in decaying wood Tanahashi, Masahiko; Ikeda, Hiroshi; Kubota, Kôhei The Science of Nature, Vol. 105, Issue 5-6 https://doi.org/10.1007/s00114-018-1557-x	journal	May 2018
Application of Molecular Simulations Toward Understanding Cellulase Mechanisms Arora, Mansi; Yennamalli, Ragothaman M.; Sen, Taner Z. BioEnergy Research, Vol. 11, Issue 4 https://doi.org/10.1007/s12155-018-9944-x	journal	October 2018
Effect of cellulolytic enzyme binding on lignin isolated from alkali and acid pretreated switchgrass on enzymatic hydrolysis Jung, Woochul; Sharma-Shivappa, Ratna; Park, Sunkyu 3 Biotech, Vol. 10, Issue 1 https://doi.org/10.1007/s13205-019-1978-z	journal	November 2019
Hemocyanin facilitates lignocellulose digestion by wood-boring marine crustaceans Besser, Katrin; Malyon, Graham P.; Eborall, William S. Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-07575-2	journal	December 2018
Molecular-level driving forces in lignocellulosic biomass deconstruction for bioenergy Petridis, Loukas; Smith, Jeremy C. Nature Reviews Chemistry, Vol. 2, Issue 11 https://doi.org/10.1038/s41570-018-0050-6	journal	October 2018
Impact of hydration and temperature history on the structure and dynamics of lignin Vural, Derya; Gainaru, Catalin; O'Neill, Hugh Green Chemistry, Vol. 20, Issue 7 https://doi.org/10.1039/c7gc03796a	journal	January 2018
Recent progress in theoretical and computational studies on the utilization of lignocellulosic materials Zhang, Yaqin; He, Hongyan; Liu, Yanrong Green Chemistry, Vol. 21, Issue 1 https://doi.org/10.1039/c8gc02059k	journal	January 2019
Systematic parameterization of lignin for the CHARMM force field Vermaas, Josh V.; Petridis, Loukas; Ralph, John Green Chemistry, Vol. 21, Issue 1 https://doi.org/10.1039/c8gc03209b	journal	January 2019
Electrostatic lock in the transport cycle of the multidrug resistance transporter EmrE Vermaas, Josh V.; Rempe, Susan B.; Tajkhorshid, Emad Proceedings of the National Academy of Sciences, Vol. 115, Issue 32 https://doi.org/10.1073/pnas.1722399115	journal	July 2018
The dissociation mechanism of processive cellulases Vermaas, Josh V.; Kont, Riin; Beckham, Gregg T. Proceedings of the National Academy of Sciences, Vol. 116, Issue 46 https://doi.org/10.1073/pnas.1913398116	journal	October 2019
Visualizing cellulase adsorption and quantitatively determining cellulose accessibility with an updated fungal cellulose-binding module-based fluorescent probe protein Li, Tian; Liu, Nan; Ou, Xianjin Biotechnology for Biofuels, Vol. 11, Issue 1 https://doi.org/10.1186/s13068-018-1105-0	journal	April 2018
Relationship between sugarcane culm and leaf biomass composition and saccharification efficiency Hodgson-Kratky, K.; Papa, G.; Rodriguez, A. Biotechnology for Biofuels, Vol. 12, Issue 1 https://doi.org/10.1186/s13068-019-1588-3	journal	October 2019
Macroalgae Derived Fungi Have High Abilities to Degrade Algal Polymers Patyshakuliyeva, Aleksandrina; Falkoski, Daniel L.; Wiebenga, Ad Microorganisms, Vol. 8, Issue 1 https://doi.org/10.3390/microorganisms8010052	journal	December 2019

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Related Subjects

59 BASIC BIOLOGICAL SCIENCES
09 BIOMASS FUELS
Cellulose crystallinity
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Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661 The current record is supplemented by this dataset	dataset	December 2015
MOESM6 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d1.v1 The current record is supplemented by this dataset	dataset	December 2015
MOESM3 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d10.v1 The current record is supplemented by this dataset	dataset	December 2015
MOESM4 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d11.v1 The current record is supplemented by this dataset	dataset	December 2015
MOESM1 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d2.v1 The current record is supplemented by this dataset	dataset	December 2015
MOESM9 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d3 The current record is supplemented by this dataset	dataset	January 2015
MOESM9 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d3.v1 The current record is supplemented by this dataset	dataset	December 2015
MOESM5 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d4 The current record is supplemented by this audiovisual	audiovisual	January 2015
MOESM5 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d4.v1 The current record is supplemented by this media	media	December 2015
MOESM2 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d5 The current record is supplemented by this text	text	January 2015
MOESM8 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d6.v1 The current record is supplemented by this dataset	dataset	December 2015
MOESM10 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/M9.FIGSHARE.C.3619661_D7 The current record is supplemented by this dataset	dataset	January 2015
MOESM10 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d7.v1 The current record is supplemented by this dataset	dataset	December 2015
MOESM11 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d8.v1 The current record is supplemented by this dataset	dataset	December 2015
MOESM7 of Mechanism of lignin inhibition of enzymatic biomass deconstruction Vermaas, Josh; Petridis, Loukas; Qi, Xianghong https://doi.org/10.6084/m9.figshare.c.3619661_d9.v1 The current record is supplemented by this dataset	dataset	December 2015
Mechanism of lignin inhibition of enzymatic biomass deconstruction [Supplemental Data] Vermaas, Josh; Petridis, Loukas; Schulz, Roland https://doi.org/10.6084/m9.figshare.c.3619661.v1 The current record is supplemented by this collection	collection	December 2015