Gene cloning, characterization, and molecular simulations of a novel recombinant chitinase from Chitinibacter tainanensis CT01

Supplementary Materials: The following are available online at www.mdpi.com/xxx/s1, Figure S1: The phylogenetic tree with the 12 chitinase-encoding genes sequences of Chitinibacter tainanensis CT01 and the other chitinase genes sequences. Figure S2: SDS-polyacrylamide gel electrophoresis of chitinase 1198 from recombinant E. coli. M, molecular mass; Lane 1, cell lysate of E.coli before IPTG induction; Lane 2, cell lysate of E.coli after IPTG induction for 7 hours; Lane 3, supernatant; Lane 4, precipitation of E. coli lysate after sonication and centrifugation. Figure S3: Amino acid and DNA sequence of chitinase 1198. Figure S4: (A) Secondary structures of chitinase 1198. (B) Predicted 3D structures of chitinase 1198. Figure S5:  Multiple sequence alignment of the active site (green box: DXXDXDXE one letter amino acid motif) of the deduced protein sequence of chitinase 1198 with chitinase from Arthobacter (PDB ID: 1KFW), (PDB ID: 4W5U), Bacillus circulans (PDB ID: 1ITX), Serratia marcescens (PDB ID:2WLY) and chitinase from nematophagous fungus (PDB ID: 3G6L). Figure S6: Comparing the Chi1198 3D structures (colored in green) with chitinases. from Arthobacter (PDB ID: 1KFW and colored in purple), (PDB ID: 4W5U and colored in gray), Bacillus circulans (PDB ID: 1ITX and colored in cyan), Serratia marcescens (PDB ID:2WLY and colored in tints) and chitinase from nematophagous fungus (PDB ID: 3G6L and colored in blue).Figure S7: Chi1198 with chitin oligomers (repeat unit: 12) and Family 18 chitinase: DXXDXDXE amino acid motif. (The distance between the Asp440 of chitinase1198 and the nitrogen atom of the 2nd. Figure S8: Chi1198 with chitin oligomers (repeat unit: 12) and Family 18 chitinase: DXXDXDXE amino acid motif. (The distance between the Asp440 of chitinase1198 and the nitrogen atom of the 3rd repeat unit from the nonreducing end). Figure S9: Chi1198 with chitin oligomers (repeat unit: 3) and Family 18 chitinase: DXXDXDXE amino acid motif. (The distance between the Asp440 of chitinase1198 and the nitrogen atom of the 2nd repeat unit from the nonreducing end)