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

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

S. no Substrate Etotal 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