4ENG

STRUCTURE OF ENDOGLUCANASE V CELLOHEXAOSE COMPLEX

4ENG の概要

• エントリーDOI: 10.2210/pdb4eng/pdb
• 関連するBIRD辞書のPRD_ID: PRD_900014
• 分子名称: ENDOGLUCANASE V CELLOHEXAOSE COMPLEX, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose (3 entities in total)
• 機能のキーワード: hydrolase, endoglucanase, glycosyl hydrolase
• 由来する生物種: Humicola insolens
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 23553.86

構造登録者

Davies, G.J.,Schulein, M. (登録日: 1996-10-17, 公開日: 1997-06-16, 最終更新日: 2023-08-09)

主引用文献

Davies, G.J.,Dodson, G.,Moore, M.H.,Tolley, S.P.,Dauter, Z.,Wilson, K.S.,Rasmussen, G.,Schulein, M.
Structure determination and refinement of the Humicola insolens endoglucanase V at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 52:7-17, 1996

PubMed Abstract: The structure of the catalytic core of the endoglucanase V (EGV) from Humicola insolens has been determined by the method of multiple isomorphous replacement at 1.5 A resolution. The final model, refined with X-PLOR and PROLSQ, has a crystallographic R factor of 0.163 (R(free) = 0.240) with deviations from stereochemical target values of 0.012 A and 0.037 degrees for bonds and angles, respectively. The model was further refined with SHELXL, including anisotropic modelling of the protein-atom temperature factors, to give a final model with an R factor of 0.105 and an R(free) of 0.154. The initial isomorphous replacement electron-density map was poor and uninterpretable but was improved by the use of synchrotron data collected at a wavelength chosen so as to optimize the f" contribution of the anomalous scattering from the heavy atoms. The structure of H. insolens EGV consists of a six-stranded beta-barrel domain, similar to that found in a family of plant defence proteins, linked by a number of disulfide-bonded loop regions. A long open groove runs across the surface of the enzyme either side of which lie the catalytic aspartate residues. The 9 A separation of the catalytic carboxylate groups is consistent with the observation that EGV catalyzes the hydrolysis of the cellulose, beta(1-->4) links with inversion of configuration at the anomeric C1 atom. This structure is the first representative from the glycosyl hydrolase family 45.

PubMed: 15299721
DOI: 10.1107/S0907444995009280

実験手法

X-RAY DIFFRACTION (1.9 Å)