Annexin A5 D226K structure and dynamics: identification of a molecular switch for the large-scale conformational change of domain III

FEBS Lett. 2001 Mar 30;493(2-3):122-8. doi: 10.1016/s0014-5793(01)02285-2.

Abstract

The domain III of annexin 5 undergoes a Ca(2+)- and a pH-dependent conformational transition of large amplitude. Modeling of the transition pathway by computer simulations suggested that the interactions between D226 and T229 in the IIID-IIIE loop on the one hand and the H-bond interactions between W187 and T224 on the other hand, are important in this process [Sopkova et al. (2000) Biochemistry 39, 14065-14074]. In agreement with the modeling, we demonstrate in this work that the D226K mutation behaves as a molecular switch of the pH- and Ca(2+)-mediated conformational transition. In contrast, the hydrogen bonds between W187 and T224 seem marginal.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Annexin A5 / chemistry*
  • Annexin A5 / genetics
  • Calcium / pharmacology
  • Computer Simulation
  • Crystallography, X-Ray
  • DNA Primers / genetics
  • Humans
  • Hydrogen-Ion Concentration
  • In Vitro Techniques
  • Models, Molecular
  • Point Mutation
  • Protein Conformation / drug effects
  • Protein Structure, Tertiary
  • Recombinant Proteins / chemistry
  • Recombinant Proteins / genetics
  • Static Electricity
  • Thermodynamics

Substances

  • Annexin A5
  • DNA Primers
  • Recombinant Proteins
  • Calcium