A linker of the proline-threonine repeating motif sequence is bimodal

Autor(es)

Skaf, Munir Salomao ^[1] ; Polikarpov, Igor ^[2] ; Stankovic, Ivana M. ^{[1, 3]}

Afiliação do(s) autor(es)

^[1] Univ Campinas UNICAMP, Inst Chem, POB 6154, BR-13082086 Campinas, SP - Brazil

^[2] Univ Sao Paulo, Sao Carlos Inst Phys, Ave Trabalhador Sao Carlense 400, BR-13560970 Sao Carlos, SP - Brazil

^[3] Univ Belgrade, Inst Chem Technol & Met, Njegoseva 12, Belgrade 11000 - Serbia

• Tipo de documento: Artigo Científico
• Fonte: Journal of Molecular Modeling; v. 26, n. 7 JUN 19 2020.
• Citações Web of Science: 0

Resumo

The linker of the endoglucanase fromXanthomonas campestris pv. campestris((PT)(12)) has a specific sequence, a repeating proline-threonine motif. In order to understand its role, it has been compared to a regular sequence linker, in this work-the cellobiohydrolase 2 fromTrichoderma reesei(CBH2). Elastic properties of the two linkers have been estimated by calculating free energy profile along the linker length from an enhanced sampling molecular dynamics simulation. The (PT)(12)exhibits more pronounced elastic behaviour than CBH2. The PT repeating motif results in a two-mode energy profile which could be very useful in the enzyme motions along the substrate during hydrolytic catalysis. (AU)

• Processo FAPESP: 08/56255-9 - Structure and function of enzymes and auxiliary proteins from Trichoderma, active in cell-wall hydrolysis
• Beneficiário: Igor Polikarpov
• Modalidade de apoio: Auxílio à Pesquisa - Programa BIOEN - Temático
• Processo FAPESP: 10/08680-2 - Aspectos moleculares da degradação de biomassa lignocelulósica: dinâmica de enzimas e nanoarquitetura de paredes celulares de plantas
• Beneficiário: Rodrigo Leandro Silveira
• Modalidade de apoio: Bolsas no Brasil - Doutorado
• Processo FAPESP: 09/54035-4 - EMU: facility para estudos avançados de materiais nanoestruturados e biossistemas / FAMA
• Beneficiário: Igor Polikarpov
• Modalidade de apoio: Auxílio à Pesquisa - Programa Equipamentos Multiusuários