Effect of potential binding site overlap to binding of cellulose to cellulose: a two‐dimensional simulation

FEBS Letters

Johansson, Gunnar²  Sild, Veljo³  Pettersson, Göran²  Ståhlberg, Jerry¹ 

[1] Department of Molecular Biology, University of Uppsala, PO Box 590, S-75123 Uppsala, Sweden;Department of Biochemistry, University of Uppsala, PO Box 576, S-75123 Uppsala, Sweden;Institute of Molecular and Cell Biology, University of Tartu, Lai 40, EE2400 Tartu, Estonia

关键词: Cellulase;    Cellulose;    Adsorption;    Overlapping binding sites;    Mathematical model;   

DOI  :  10.1016/0014-5793(95)01420-9

学科分类：生物化学/生物物理

来源: John Wiley & Sons Ltd.

【 摘 要 】

A computer simulation model for the binding of ligands to a totally anisotropic surface (infinite two-dimensional square lattice) with overlapping binding sites has been developed. The validity of the simulation has been proven by comparison with cases where the correct results are known. The simulation of kinetics shows that when the lattice is close to saturation, the true equilibrium state is reached extremely slowly due to a lot of rearranging of the ligands on the lattice. Based on these findings, the terms ‘apparent saturation’ and ‘apparent maximum coverage’ have been introduced and defined. The largest discrepancies between ‘apparent maximum coverage’ and the theoretically predicted value were observed for tigands of large size and/or irregular shape. As an example, the model has been applied to describe the binding of cellobiohydrolase-I core to Avicel. A formula for calculation of the intrinsic binding constant, maximal binding capacity and specific surface of cellulose from real binding data has been derived.

【 授权许可】

Unknown