Identification of hot spot residues at protein-protein interface.
It is known that binding free energy of protein-protein interaction is mainly contributed by hot spot (high energy) interface residues. Here, we investigate the characteristics of hot spots by examining inter-atomic sidechain-sidechain interactions using a dataset of 296 alanine-mutated interface residues. Results show that hot spots participate in strong and energetically favorable sidechain-sidechain interactions. Subsequently, we describe a novel, yet simple 'hot spot' prediction model with an accuracy that is similar to many available approaches. The model is also shown to efficiently distinguish specific protein-protein interactions from non-specific interactions.
Li
Lei
L
School of mechanical and aerospace engineering, Nanyang Technological University, Singapore - 639798.
Zhao
Bing
B
Cui
Zhanhua
Z
Gan
Jacob
J
Sakharkar
Meena Kishore
MK
Kangueane
Pandjassarame
P