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Tertiary alphabet for the observable protein structural universe #MMPMID27810958
Mackenzie CO; Zhou J; Grigoryan G
Proc Natl Acad Sci U S A 2016[Nov]; 113 (47): E7438-47 PMID27810958show ga
Proteins fold into intricate 3D structures, determined by their amino acid sequences. Different proteins can fold into drastically different structures, and the space of all possible structures appears hopelessly complex. However, this is precisely the space that needs to be described to understand how sequence encodes structure. In this paper, we decompose the set of known protein structures into standard reusable building blocks, which we call tertiary structural motifs (TERMs). Strikingly, we find that only ?600 TERMs describe 50% of the known protein structural universe at sub-Angstrom resolution. Furthermore, we find the natural utilization of TERMs gives us a means of uncovering sequence?structure relationships. These insights can be harnessed for protein structure prediction, protein design, and other applications.