Which cryptic sites are ligandable, and why?
Many interesting proteins have flat, featureless surfaces, lacking the deep pockets in which small molecules usually bind. But structures can be deceptive: crevasses can open unexpectedly, revealing “cryptic sites” for ligands. Or not – just because a site is available does not mean it is ligandable (able to bind to ligands with high affinity). A new (open access) paper in Drug Disc. Today by Sandor Vajda and collaborators at Boston University and Stony Brook University asks “which cryptic sites... Читать дальше...