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![[Figure 7]](jv5010fig7mag.jpg)
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Figure 7
Structures of WT EcAIII and its variants predicted by AlphaFold2. (a) Superposition of WT EcAIII and its five best models predicted by AlphaFold2 (color legend in inset); although all core structures were predicted correctly, the conformation of the linker is different in each model. (b) Position of Thr179 in the predicted models of WT EcAIII superposed on the crystal structure of the T179A mutant (PDB entry 3c17); the lack of water molecules in the predicted models might lead to incorrect conformations of the side chain of Thr179 and of the scissile bond. (c) In some models, the distance between Thr179 and Ser211 is close enough to suggest hydrogen bonding. (d) and (e) show the predicted hydrogen bonds between Arg211 and Thr179 in variants RDM1-41 and RDM1-63. (f) Mutant RDM1-61 with a hydrogen bond between Glu211 and Thr179. In all panels, the mutation sites are marked in frames and hydrogen bonds are marked as dashed lines. |
![[Figure 7]](jv5010fig7.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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