Figure 4.
Malonyl-CoA acyltransferases (MCAT/FabD). A–D) Similar to Arthur et al.89 we used several protein-protein docking servers to visualize the tentative interaction between ACP and MCAT. Using Patchdock,106 Grammx107 and Cluspro,108 E. coli ACP (PDB: 1T8K) was docked onto E. coli FabD (PDB: 2G1H) and compared with the modeled structure of ScACP and ScFabD, PDB: 1NNZ, shown in A.88 B) Low energy state observed by all three methods, while C and D were observed by two. E) reaction catalyzed by MCAT/FabD. F) Published structures of malonyl-CoA acyltransferases (MCAT/FabD) show very close homology. Here, we docked using Cluspro108 to various MCAT X-ray crystal structures (in dark brown) E. coli ACP, showing the top 5 hits (protein bundles in multicolor). From top left to bottom right: 1NM2 (from Streptomyces coelicolor), 2G1H (from E. coli), 2H1Y (from Helicobacter pylori), 3TQE (from Coxiella burnetii), 3PTW (from Clostridium perfringens), 2QC3 (from Mycobacterium tuberculosis), 3EZO (from Burkholderia pseudomallei) and 3IM8 (from Streptococcus pneumoniae).