Endoglucanase gene of M42 aminopeptidase/endoglucanase family from thermophilic Bacillus sp. PW1 and PW2 isolated from Tattapani hot spring, Himachal Pradesh, India

Journal of Genetic Engineering and Biotechnology

Table 2 Binding energies (E_total) for the interaction of carboxymethyl cellulose, cellulose, xylan, glucose, maltose, and dextrin with PW1 endoglucanase and the sites of interaction on the enzyme

S. no	Substrate	E_total of docking (kcal/mol)	Amino acid residues involved in interaction
1.	Carboxymethyl cellulose	− 286.36	Leu 6, Met 97, Ile98, Leu 27, Asp 7, Glu 8, Phe 11, Glu 152, Gly 10, Val 9, Val 153, Gln 150, Val 149 of chain A
2.	Cellulose	− 158.33	Ile 261, Glu 151, Asp 119, Glu 152, Val 175, Gly 236, Gly 176, Ile 177, Met 232 of chain A
3.	Xylan	− 156.39	Val 153, Gly 154, Glu 151, Leu155, Glu 152, Thr 205, Gly 236 of chain A
4.	Glucose	− 166.55	Leu 155, Gly 154, Val 153, Glu 151, Glu 152, Gly 235, Thr 205 of chain A
5.	Maltose	− 236.15	Ile 177, Ile 261, His 262, Glu 152, Gly 28, Val 153, Asp 119, Gly 154, Leu 155, Gly 235, Gly 234 of chain A
6.	Dextrin	− 171.03	Glu 8, Asp 7, Val 9, Leu 27, Met 97, Ile 98, Val 99 of chain A