7KW6

Crystal structure of the BlCel48B from Bacillus licheniformis

7KW6 の概要

• エントリーDOI: 10.2210/pdb7kw6/pdb
• 関連するBIRD辞書のPRD_ID: PRD_900005 PRD_900011
• 分子名称: Exoglucanase-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... (6 entities in total)
• 機能のキーワード: enzyme, gh48, cellulase, processive, hydrolase
• 由来する生物種: Bacillus licheniformis
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 81381.13

構造登録者

Araujo, E.A.,Polikarpov, I. (登録日: 2020-11-30, 公開日: 2022-01-19, 最終更新日: 2023-10-18)

主引用文献

Araujo, E.A.,Dias, A.H.S.,Kadowaki, M.A.S.,Piyadov, V.,Pellegrini, V.O.A.,Urio, M.B.,Ramos, L.P.,Skaf, M.S.,Polikarpov, I.
Impact of cellulose properties on enzymatic degradation by bacterial GH48 enzymes: Structural and mechanistic insights from processive Bacillus licheniformis Cel48B cellulase.
Carbohydr Polym, 264:118059-118059, 2021

PubMed Abstract: Processive cellulases are highly efficient molecular engines involved in the cellulose breakdown process. However, the mechanism that processive bacterial enzymes utilize to recruit and retain cellulose strands in the catalytic site remains poorly understood. Here, integrated enzymatic assays, protein crystallography and computational approaches were combined to study the enzymatic properties of the processive BlCel48B cellulase from Bacillus licheniformis. Hydrolytic efficiency, substrate binding affinity, cleavage patterns, and the apparent processivity of bacterial BlCel48B are significantly impacted by the cellulose size and its surface morphology. BlCel48B crystallographic structure was solved with ligands spanning -5 to -2 and +1 to +2 subsites. Statistical coupling analysis and molecular dynamics show that co-evolved residues on active site are critical for stabilizing ligands in the catalytic tunnel. Our results provide mechanistic insights into BlCel48B molecular-level determinants of activity, substrate binding, and processivity on insoluble cellulose, thus shedding light on structure-activity correlations of GH48 family members in general.

PubMed: 33910709
DOI: 10.1016/j.carbpol.2021.118059

実験手法

X-RAY DIFFRACTION (1.68 Å)