Double water exculsion

CREATED: 200903040605 A hypothesis refining the O-ring theory for hot spots at protein interfaces Speaker: Li Jinyan (SCE, NTU) ** Motivation

• binding interfaces have high compatibility in 3D share and biochemical properties
• hotspot in the binding interface consists of a small subset of residues, energetically important, any mutants result in energy loss
• O-ring theory by Bogan and Thorn, JMB 1998 ** hotspot surrounded by a ring of energetically less important residues ** these residues organized in a O-ring shape to block water molecules ** Contribution
• Double water exclusion: in addition to O-ring, further assume that the hotspot itself is water free
• Finding water free hotspoints ** binding chain pair represented as a bipartite graph, connect two residues if distance between them is small ** hotspots corresponds to maximal biclique