Skip to main content
. 2022 Jan 14;7(4):3470–3482. doi: 10.1021/acsomega.1c05923

Figure 3.

Figure 3

Predicted 3D structure of the proposed methyltransferase Mtb Rv1405c (a). The initial prediction of the tertiary structure of Mtb Rv1405c using I-TASSER revealed that the closest structure available for homology modeling is the crystal structure of the S-methyltransferase TmtA from A. fumigatus Z5 (PDB: 5EGP). A C-score of 0.09 was calculated for this predicted structure. Light blue = predicted Rv1405c G198D structure, dark blue = putative methyltransferase domain, purple = G198D mutation, and green = E272 as part of the opposite β-strand. Predicted structures of Rv1405c wt and G198D were superimposed (b). G198 is part of a short β-strand (yellow) which is not part of but close to the methyltransferase domain, while G198D induces a 90° rotation, resulting in a prolonged β-strand (purple). Predicted structural changes in the putative methyltransferase domain are indicated by red arrows.