Journal
JOURNAL OF MOLECULAR BIOLOGY
Volume 352, Issue 4, Pages 807-822Publisher
ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jmb.2005.07.031
Keywords
adenylate kinase; conformational change pathway; elastic network; minimum energy path
Categories
Ask authors/readers for more resources
The plastic network model (PNM) is used to generate a conformational change pathway for Escherichia coli adenylate kinase based on two crystal structures, namely that of an open and a closed conformer. In this model, the energy basins corresponding to known conformers are connected at their lowest common energies. The results are used to evaluate and analyze the minimal energy pathways between these basins. The, open to closed transition analysis provides an identification of hinges that is in agreement with the existing definitions based on the available X-ray structures. The elastic energy distribution and the C-alpha pseudo-dihedral variation provide similar information on these hinges. The ensemble of the 45 published structures for this protein and closely related proteins is shown to always be within 3.0 angstrom of the pathway, which corresponds to a conformational change between two end structures that differ by a C-alpha-atom root-meansquared deviation of 7.1 angstrom. (c) 2005 Elsevier Ltd. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available