Fig. 1
From: AlphaFold 3 sheds insights into chemical enhancer-induced structural changes in Cas12a RNPs
Structural analysis of Cas12a RNPs via PDB and AlphaFold3. A Structural comparison between PDB 6NME (inactivated Cas12a RNP, yellow) and 5XUS (activated Cas12a RNP, green) (RMSD = 2.567). B Molecular estimates of distance changes between Val377 and Gln1136 due to changes in the Cas12a conformation before and after activation. The Val377–Gln1136 distance in inactivated RNPs is 24.59 Å, and in activated RNPs, it is 30.13 Å. Green: Cas12a protein; blue: nuclease domain (NUC) in Cas12a; brown: gRNA; slate: ssDNA trigger. C Structural comparison between the simulation model based on AlphaFold3 using the same sequence as PDB 6NME (inactivated Cas12a RNP, purple) and 5XUS (activated Cas12a RNP, cyan) (RMSD = 2.953). D Molecular simulation estimates of distance changes between Val377 and Gln1136 due to changes in the Cas12a conformation before and after activation by AlphaFold3. The Val377–Gln1136 distance in inactivated RNPs is 24.22 Å, and in activated RNPs, it is 30.86 Å. Green: Cas12a protein; blue: nuclease domain (NUC) in Cas12a; brown: gRNA; slate: ssDNA trigger