Fig. 2: Sequence design of residues in proximity to the active site. | Nature Communications

Fig. 2: Sequence design of residues in proximity to the active site.

From: Unraveling the molecular basis of substrate specificity and halogen activation in vanadium-dependent haloperoxidases

Fig. 2

a Visualization of the AmVHPO model. Two chains of the decamer are shown. The design of surface-exposed residues was simulated in a 10 Å radius of the catalytic residue K428. Designed residues pointing towards the substrate channel are highlighted in violet. The phosphate position was superimposed from 5LPC21. b Conditional probabilities predicted by ProteinMPNN41 for the designed positions in the AmVHPO dodecamer model.

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