Correlation Between Allosteric and Orthosteric Sites

  • Weilin Zhang
  • Juan Xie
  • Luhua LaiEmail author
Part of the Advances in Experimental Medicine and Biology book series (AEMB, volume 1163)


Correlation between an allosteric site and its orthosteric site refers to the phenomenon that perturbations like ligand binding, mutation, or posttranslational modifications at the allosteric site leverage variation in the orthosteric site. Understanding this kind of correlation not only helps to disclose how information is transmitted in allosteric regulation but also provides clues for allosteric drug discovery. This chapter starts with an overview of correlation studies on allosteric and orthosteric sites and then introduces recent progress in evolutionary and simulation-based dynamic studies. Discussions and perspectives on future directions are also given.


Correlation Evolutionary analysis Statistical coupling analysis Elastic network model Molecular dynamics Two state Go̅ model Rigid-body simulation Community analysis Mutual information 


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Copyright information

© Springer Nature Singapore Pte Ltd. 2019

Authors and Affiliations

  1. 1.College of Chemistry and Molecular EngineeringPeking UniversityBeijingChina
  2. 2.Center for Quantitative Biology, AAISPeking UniversityBeijingChina

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