Communication

Free Energy Profile of H-ras Membrane Anchor upon Membrane Insertion†

  1. Alemayehu A. Gorfe Dr.1,
  2. Arneh Babakhani1,
  3. J. Andrew McCammon Prof.1,2,3

Article first published online: 20 SEP 2007

DOI: 10.1002/anie.200702379

Issue

Angewandte Chemie International Edition

Angewandte Chemie International Edition

Volume 46, Issue 43, pages 8234–8237, November 5, 2007

Additional Information

How to Cite

Gorfe, A., Babakhani, A. and McCammon, J. (2007), Free Energy Profile of H-ras Membrane Anchor upon Membrane Insertion. Angewandte Chemie International Edition, 46: 8234–8237. doi: 10.1002/anie.200702379

Author Information

  1. 1

    Department of Chemistry and Biochemistry, University of California at San Diego, La Jolla, CA 92093-0365, USA, Fax: (+1) 858-534-4974 http://mccammon.ucsd.edu/∼abebe/

  2. 2

    Howard Hughes Medical Institute, University of California at San Diego, USA

  3. 3

    Department of Pharmacology, University of California at San Diego, USA

  1. †

    A.A.G. acknowledges financial support from the Commission for the Promotion of Young Academics of the University of Zurich. We thank Prof. J. F. Hancock, Dr. M. Hanzal-Bayer, Dr. D. Abankwa, Dr. D. Hamelberg, and Dr. I. Ivanov for discussions and critical reading of the manuscript, as well as the San Diego Super Computer Center and the Center for Theoretical Biological Physics for computational resources. Additional support was provided by the National Science Foundation, National Institutes of Health, Howard Hughes Medical Institute, National Biomedical Computation Resource, and Accelrys Inc.

Publication History

  1. Issue published online: 26 OCT 2007
  2. Article first published online: 20 SEP 2007
  3. Manuscript Revised: 10 JUL 2007
  4. Manuscript Received: 31 MAY 2007

Funded by

  • National Science Foundation
  • National Institutes of Health
  • Howard Hughes Medical Institute
  • National Biomedical Computation Resource
  • Accelrys Inc.

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Keywords:

  • hydrogen bonds;
  • lipoproteins;
  • membranes;
  • molecular dynamics;
  • molecular mechanics

Graphical Abstract

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Pushing the envelope: The calculated free energy profile for the insertion of H-ras anchor into a dimyristoyl-sn-glycero-3-phosphocholine bilayer shows a steeply downhill profile. The insertion into the hydrocarbon core of the ras lipids and the interfacial localization of the backbone together account for a binding free energy of about −30 kcal mol−1.

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