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Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web
Published on: July 16, 2017
Hinge Atlas: relating protein sequence to sites of structural flexibility
Samuel C Flores1, Long J Lu, Julie Yang
1Department of Physics, Yale University, New Haven, CT, USA. samuel.flores@yale.edu <samuel.flores@yale.edu>
BMC Bioinformatics
|May 24, 2007
Summary
Protein hinges, crucial for flexibility, often appear near active sites but are not evolutionarily conserved. This study introduces a Hinge Atlas to analyze sequence features associated with protein structural hinges.
Area of Science:
- Biochemistry
- Structural Biology
- Bioinformatics
Background:
- Understanding protein flexibility is key for domain boundary identification, structure-function insights, and protein design.
- Previous research faced limitations due to the absence of a comprehensive dataset for hinge characteristic studies.
Purpose of the Study:
- To establish correlations between protein sequence features and structural hinge locations.
- To develop a predictive model for hinge identification based on sequence data.
Main Methods:
- Creation of a manually annotated Hinge Atlas from the Molecular Motions Database.
- Statistical analysis to determine residue enrichment within hinges.
- Evaluation of sequence features like residue type, secondary structure, solvent exposure, and evolutionary conservation.
Main Results:
- Hinges are typically located on protein surfaces, within coils and turns, and are enriched with small, hydrophilic residues.
- A significant finding is the tendency for hinges to coincide with active sites, yet they are not evolutionarily conserved.
- All analyzed sequence features were found to influence hinge location.
Conclusions:
- Protein hinges exhibit distinct sequence features, including proximity to active sites without conservation.
- The developed Hinge Atlas provides a valuable resource for future protein flexibility research.
- A functional sequence-based hinge predictor was created, demonstrating the practical application of the findings.
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