Publication Date:
2015-09-12
Description:
The hemoprotein myoglobin is a model system for the study of protein dynamics. We used time-resolved serial femtosecond crystallography at an x-ray free-electron laser to resolve the ultrafast structural changes in the carbonmonoxy myoglobin complex upon photolysis of the Fe-CO bond. Structural changes appear throughout the protein within 500 femtoseconds, with the C, F, and H helices moving away from the heme cofactor and the E and A helices moving toward it. These collective movements are predicted by hybrid quantum mechanics/molecular mechanics simulations. Together with the observed oscillations of residues contacting the heme, our calculations support the prediction that an immediate collective response of the protein occurs upon ligand dissociation, as a result of heme vibrational modes coupling to global modes of the protein.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Barends, Thomas R M -- Foucar, Lutz -- Ardevol, Albert -- Nass, Karol -- Aquila, Andrew -- Botha, Sabine -- Doak, R Bruce -- Falahati, Konstantin -- Hartmann, Elisabeth -- Hilpert, Mario -- Heinz, Marcel -- Hoffmann, Matthias C -- Kofinger, Jurgen -- Koglin, Jason E -- Kovacsova, Gabriela -- Liang, Mengning -- Milathianaki, Despina -- Lemke, Henrik T -- Reinstein, Jochen -- Roome, Christopher M -- Shoeman, Robert L -- Williams, Garth J -- Burghardt, Irene -- Hummer, Gerhard -- Boutet, Sebastien -- Schlichting, Ilme -- New York, N.Y. -- Science. 2015 Oct 23;350(6259):445-50. doi: 10.1126/science.aac5492. Epub 2015 Sep 10.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Max-Planck-Institut fur Medizinische Forschung, Jahnstrasse 29, 69120 Heidelberg, Germany. thomas.barends@mpimf-heidelberg.mpg.de ilme.schlichting@mpimf-heidelberg.mpg.de. ; Max-Planck-Institut fur Medizinische Forschung, Jahnstrasse 29, 69120 Heidelberg, Germany. ; Max-Planck-Institut fur Biophysik, Max-von-Laue-Strasse 3, 60438 Frankfurt am Main, Germany. ; European XFEL GmbH, Albert-Einstein-Ring 19, 22761 Hamburg, Germany. ; Institut fur Physikalische und Theoretische Chemie, Goethe-Universitat, Max-von-Laue-Strasse 7, 60438 Frankfurt am Main, Germany. ; Max-Planck-Institut fur Biophysik, Max-von-Laue-Strasse 3, 60438 Frankfurt am Main, Germany. Institut fur Physikalische und Theoretische Chemie, Goethe-Universitat, Max-von-Laue-Strasse 7, 60438 Frankfurt am Main, Germany. ; Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/26359336" target="_blank"〉PubMed〈/a〉
Print ISSN:
0036-8075
Electronic ISSN:
1095-9203
Topics:
Biology
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Chemistry and Pharmacology
,
Computer Science
,
Medicine
,
Natural Sciences in General
,
Physics
