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Figure 5
Ligand validation via ER. In the ensemble model of PsiM mutant N247M, the bound XP6 (left panel) shows very little pose variation in agreement with good real space correlation and RSR. In contrast, the tentatively modelled, weakly bound XPN (right panel) can depart the binding site through the mobile substrate-recognition loop. The strong and weak ligand binding is also indicated in the respective PDB ligand sliders. Likewise, note the higher ligand flexibility (also for XP6) compared with the rigidly bound coenzymes SAH and SFG.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 2| April 2025| Pages 615-621
https://doi.org/10.1107/S160057672500130X
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