Mechanical regulation of biorecognition: Forced unfolding studies of the RGD-containing fibronectin type III10 module

Andre Krammer, Hui Lu, Barry Isralewitz, Klaus Schulten, Viola Vogel

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The forced unfolding of fibronectin's tenth type III module (FnIII10) was simulated by steered molecular dynamics (SMD) indicating that mechanical tension applied to the module's termini renders its RGD loop inaccessible to cell surface integrins. FnIII10 possesses a β-sandwich motif consisting of seven β-strands (A-G) that are arranged in two anti-parallel sheets with the RGD peptide sequence located at the apex of the FG loop. Computer simulations now reveal that the β-strand G separates from the module at an early stage of unfolding while the remaining fold experiences only small structural perturbations. Consequently, the RGD peptide is pulled closer to the module's surface as the FG loop unravels. A molecular scale picture of the forced unfolding pathway will be discussed as well as its implications for the understanding of cell-surface interactions.

Original languageEnglish (US)
Title of host publicationAnnual International Conference of the IEEE Engineering in Medicine and Biology - Proceedings
PublisherIEEE
Number of pages1
ISBN (Print)0780356756
StatePublished - Dec 1 1999
EventProceedings of the 1999 IEEE Engineering in Medicine and Biology 21st Annual Conference and the 1999 Fall Meeting of the Biomedical Engineering Society (1st Joint BMES / EMBS) - Atlanta, GA, USA
Duration: Oct 13 1999Oct 16 1999

Publication series

NameAnnual International Conference of the IEEE Engineering in Medicine and Biology - Proceedings
Volume1
ISSN (Print)0589-1019

Other

OtherProceedings of the 1999 IEEE Engineering in Medicine and Biology 21st Annual Conference and the 1999 Fall Meeting of the Biomedical Engineering Society (1st Joint BMES / EMBS)
CityAtlanta, GA, USA
Period10/13/9910/16/99

ASJC Scopus subject areas

  • Signal Processing
  • Biomedical Engineering
  • Computer Vision and Pattern Recognition
  • Health Informatics

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    Krammer, A., Lu, H., Isralewitz, B., Schulten, K., & Vogel, V. (1999). Mechanical regulation of biorecognition: Forced unfolding studies of the RGD-containing fibronectin type III10 module. In Annual International Conference of the IEEE Engineering in Medicine and Biology - Proceedings (Annual International Conference of the IEEE Engineering in Medicine and Biology - Proceedings; Vol. 1). IEEE.