A tale of two states: AlphaFold binding pockets on the apo-holo continuum
Much of what we know about ligand binding comes from comparing ligand-bound (holo) and unbound (apo) protein structures. AlphaFold now models nearly every known protein, and its models feed binding-site detection and docking, yet which state their pockets resemble remains unresolved. Here we place 237,922 AlphaFold pockets from 12,255 proteins on the apo-holo axis spanned by every experimental…
We haven't written up this one. bioRxiv has the full story — the link below goes straight to it.
