Figure 3.

The MD simulations and gene expression of AssAs in “Ca. A. nitratireducens”; the structural representations of binding complexes of AssA2 with fumarate and ethane (A)/propane (B)/butane (C), and AssA3 with fumarate and ethane (D)/propane (E)/butane (F); key residues of Cys489 and Gly828 are close to each other in all systems; residues with occupancy of hydrogen bonds >50% were also included in the figures; (g) the normalized gene expression values of assA genes in “Ca. A. nitratireducens” from C₂H₆-, C₃H₈-, and C₄H₁₀-fed systems (calculated as total TPM).