Distinguishing crystallographic from biological interfaces in protein complexes: role of intermolecular contacts and energetics for classification.

ABSTRACT:

Background

Study of macromolecular assemblies is fundamental to understand functions in cells. X-ray crystallography is the most common technique to solve their 3D structure at atomic resolution. In a crystal, however, both biologically-relevant interfaces and non-specific interfaces resulting from crystallographic packing are observed. Due to the complexity of the biological assemblies currently tackled, classifying those interfaces, i.e. distinguishing biological from crystal lattice interfaces, is not trivial and often prone to errors. In this context, analyzing the physico-chemical characteristics of biological/crystal interfaces can help researchers identify possible features that distinguish them and gain a better understanding of the systems.

Results

In this work, we

SUBMITTER: Elez K 

PROVIDER: S-EPMC6266931 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature