Extended Data Fig. 7: Surface display for the comparison of the size of the active site in the experimentally derived model (a) and the AlphaFold2 predictions (b).
From: Functional metagenomic screening identifies an unexpected β-glucuronidase
The apo-structure of SN243 mutant D415N (a; pdb 7QG4 – corresponding to Fig. 4) shows crystallographic density for the loop ranging from His190 to Ala202. This loop is tied back to expose a large active site opening. By contrast, in the AlphaFold2 prediction in (b) the same loop appeared to fold over into the active site, effectively reducing the volume of the binding pocket and hindering access.
