Medizinische Universität Graz Austria/Österreich - Forschungsportal - Medical University of Graz
Gewählte Publikation:
SHR Neuro Krebs Kardio Lipid Stoffw Microb
Wiltgen, M; Tscheliessnigg, K; Tilz, GP.
The tumour necrosis factor as a mediator of vessel inflammation: importance of exposed receptor residues for its neutralization.
Hematology. 2009; 14(6):347-356
Doi: 10.1179/102453309X12473408860541
Web of Science
PubMed
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- Führende Autor*innen der Med Uni Graz
- Wiltgen Marco
- Co-Autor*innen der Med Uni Graz
- Tilz Gernot
- Tscheliessnigg Karlheinz
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- Abstract:
- Background: The analysis of the macromolecular tumour necrosis factor (TNF)-receptor interface helps to understand the antigenicity of this inflammatory protein. Method: The calculations are based on structural data from the protein database. The residues of the macromolecular interface are identified in the interface contact matrix, a plot of pair-wise interactions between adjacent residues in the TNF-receptor complex. Starting from the matrix elements, the most exposed residues of the receptor, together with their relative contribution to the interface, are determined. This is done by Voronoi tessellation, a unique and well defined partition of the protein into polyhedral cells defining the proprietary space of the associated amino acid and its contact faces with neighboured residue cells. Results: Several interfacial receptor residues, contributing with a total amount of 63% to the macromolecular interface, could be identified. Conclusion: Based on the assumption that residues with higher interfacial exposure values are playing the most important role in TNF-receptor complex, they will be the original material for further developments in engineering more efficient TNF blockers.
- Find related publications in this database (using NLM MeSH Indexing)
- Animals -
- Databases, Protein -
- Humans -
- Inflammation Mediators - chemistry
- Models, Molecular -
- Protein Structure, Tertiary -
- Receptors, Tumor Necrosis Factor - chemistry
- Vasculitis -
- Find related publications in this database (Keywords)
- Tumour necrosis factor
- vessel inflammation
- molecular visualization
- Voronoi tessellation
- bioinformatics