Skip to main content
Journal cover image

Coarse-grained modeling of allosteric regulation in protein receptors.

Publication ,  Journal Article
Balabin, IA; Yang, W; Beratan, DN
Published in: Proceedings of the National Academy of Sciences of the United States of America
August 2009

Allosteric regulation provides highly specific ligand recognition and signaling by transmembrane protein receptors. Unlike functions of protein molecular machines that rely on large-scale conformational transitions, signal transduction in receptors appears to be mediated by more subtle structural motions that are difficult to identify. We describe a theoretical model for allosteric regulation in receptors that addresses a fundamental riddle of signaling: What are the structural origins of the receptor agonism (specific signaling response to ligand binding)? The model suggests that different signaling pathways in bovine rhodopsin or human beta(2)-adrenergic receptor can be mediated by specific structural motions in the receptors. We discuss implications for understanding the receptor agonism, particularly the recently observed "biased agonism" (selected activation of specific signaling pathways), and for developing rational structure-based drug-design strategies.

Duke Scholars

Published In

Proceedings of the National Academy of Sciences of the United States of America

DOI

EISSN

1091-6490

ISSN

0027-8424

Publication Date

August 2009

Volume

106

Issue

34

Start / End Page

14253 / 14258

Related Subject Headings

  • Signal Transduction
  • Rhodopsin
  • Receptors, Adrenergic, beta-2
  • Protein Structure, Tertiary
  • Protein Structure, Secondary
  • Protein Conformation
  • Models, Theoretical
  • Models, Molecular
  • Ligands
  • Humans
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Balabin, I. A., Yang, W., & Beratan, D. N. (2009). Coarse-grained modeling of allosteric regulation in protein receptors. Proceedings of the National Academy of Sciences of the United States of America, 106(34), 14253–14258. https://doi.org/10.1073/pnas.0901811106
Balabin, Ilya A., Weitao Yang, and David N. Beratan. “Coarse-grained modeling of allosteric regulation in protein receptors.Proceedings of the National Academy of Sciences of the United States of America 106, no. 34 (August 2009): 14253–58. https://doi.org/10.1073/pnas.0901811106.
Balabin IA, Yang W, Beratan DN. Coarse-grained modeling of allosteric regulation in protein receptors. Proceedings of the National Academy of Sciences of the United States of America. 2009 Aug;106(34):14253–8.
Balabin, Ilya A., et al. “Coarse-grained modeling of allosteric regulation in protein receptors.Proceedings of the National Academy of Sciences of the United States of America, vol. 106, no. 34, Aug. 2009, pp. 14253–58. Epmc, doi:10.1073/pnas.0901811106.
Balabin IA, Yang W, Beratan DN. Coarse-grained modeling of allosteric regulation in protein receptors. Proceedings of the National Academy of Sciences of the United States of America. 2009 Aug;106(34):14253–14258.
Journal cover image

Published In

Proceedings of the National Academy of Sciences of the United States of America

DOI

EISSN

1091-6490

ISSN

0027-8424

Publication Date

August 2009

Volume

106

Issue

34

Start / End Page

14253 / 14258

Related Subject Headings

  • Signal Transduction
  • Rhodopsin
  • Receptors, Adrenergic, beta-2
  • Protein Structure, Tertiary
  • Protein Structure, Secondary
  • Protein Conformation
  • Models, Theoretical
  • Models, Molecular
  • Ligands
  • Humans