Molecular Docking of Bacillus Pumilus Xylanase and Xylan Substrate Using Computer Modeling
计算机模拟短小芽孢杆菌木聚糖酶与底物木聚糖的对接

Bacillus pumilus xylanase was cloned and sequenced. Based on the tertiary structure that originated from homology modeling, the potential active pocket was searched and ligand-protein docking was performed using relative softwares. The information extracted from the molecular docking is analyzed; several amino acid residues might play a vital role in the xylanase catalytic reaction are obtained to instruct the further modification of xylanase directed-evolution.