Ontology highlight
ABSTRACT:
SUBMITTER: Bartlett GJ
PROVIDER: S-EPMC2921280 | biostudies-literature | 2010 Aug
REPOSITORIES: biostudies-literature
Bartlett Gail J GJ Choudhary Amit A Raines Ronald T RT Woolfson Derek N DN
Nature chemical biology 20100711 8
Hydrogen bonds between backbone amides are common in folded proteins. Here, we show that an intimate interaction between backbone amides also arises from the delocalization of a lone pair of electrons (n) from an oxygen atom to the antibonding orbital (pi*) of the subsequent carbonyl group. Natural bond orbital analysis predicted significant n-->pi* interactions in certain regions of the Ramachandran plot. These predictions were validated by a statistical analysis of a large, non-redundant subse ...[more]