What is it about?
This study presents an improved approach for predicting the distribution of B values over a protein structure. In the work presented here, the graphlet degree vector (GDV) was used to build a multiple linear regression model to predict the distribution of protein isotropic ADPs (B values).
Featured Image
Photo by National Cancer Institute on Unsplash
Why is it important?
It is the dynamic aspect of protein structure that most interests structural biologists, and this improved method to predict it can help to both obtain an idea about atomic mobility and provide one with starting values for accurate B-value refinement.
Perspectives
Future research could focus on using the model to validate protein models deposited in the PDB and as is an important complementary tool to structure- prediction software such as AlphaFold and RoseTTAFold. Additionaly, future work will consider applying the GDV model to the entire PDB and identifying potentially incorrectly modeled regions in protein models.
Jure Pražnikar
University of Primorska Faculty of Mathematics, Natural Sciences and Information Technologies
Read the Original
This page is a summary of: Using graphlet degree vectors to predict atomic displacement parameters in protein structures, Acta Crystallographica Section D Structural Biology, November 2023, International Union of Crystallography,
DOI: 10.1107/s2059798323009142.
You can read the full text:
Contributors
The following have contributed to this page
