Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation

被引：311

作者：

Barends, Thomas R. M. ^{[1
]}

Foucar, Lutz ^{[1
]}

Ardevol, Albert ^{[2
]}

Nass, Karol ^{[1
]}

Aquila, Andrew ^{[3
]}

Botha, Sabine ^{[1
]}

Doak, R. Bruce ^{[1
]}

Falahati, Konstantin ^{[4
]}

Hartmann, Elisabeth ^{[1
]}

Hilpert, Mario ^{[1
]}

Heinz, Marcel ^{[2
,4
]}

Hoffmann, Matthias C. ^{[5
]}

Koefinger, Juergen ^{[2
]}

Koglin, Jason E. ^{[5
]}

Kovacsova, Gabriela ^{[1
]}

Liang, Mengning ^{[5
]}

Milathianaki, Despina ^{[5
]}

Lemke, Henrik T. ^{[5
]}

Reinstein, Jochen ^{[1
]}

Roome, Christopher M. ^{[1
]}

Shoeman, Robert L. ^{[1
]}

Williams, Garth J. ^{[5
]}

Burghardt, Irene ^{[4
]}

Hummer, Gerhard ^{[2
]}

Boutet, Sebastien ^{[5
]}

Schlichting, Ilme ^{[1
]}

机构：

[1] Max Planck Inst Med Res, D-69120 Heidelberg, Germany

[2] Max Planck Inst Biophys, D-60438 Frankfurt, Germany

[3] European XFEL GmbH, D-22761 Hamburg, Germany

[4] Goethe Univ Frankfurt, Inst Phys & Theoret Chem, D-60438 Frankfurt, Germany

[5] SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA

来源：

SCIENCE | 2015年 / 350卷 / 6259期

关键词：

FREE-ELECTRON LASER; MOLECULAR-DYNAMICS SIMULATION; NORMAL MODE ANALYSIS; HEME-PROTEINS; CARBONMONOXY MYOGLOBIN; STRUCTURAL DYNAMICS; HEMOGLOBIN; CRYSTALLOGRAPHY; RELAXATION; RESOLUTION;

D O I：

10.1126/science.aac5492

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

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.

引用

页码：445 / 450

页数：6

共 40 条

[1] PROTEIN STATES AND PROTEIN QUAKES
ANSARI, A
BERENDZEN, J
BOWNE, SF
FRAUENFELDER, H
IBEN, IET
SAUKE, TB
SHYAMSUNDER, E
YOUNG, RD
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1985, 82 (15) : 5000 - 5004
[2] Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin
Aranda, Roman
Levin, Elena J.
Schotte, Friedrich
Anfinrud, Philip A.
Phillips, George N.
[J]. ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2006, 62 : 776 - 783
[3] Observation of the cascaded atomic-to-global length scales driving protein motion
Armstrong, MR
Ogilvie, JP
Cowan, ML
Nagy, AM
Miller, RJD
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2003, 100 (09) : 4990 - 4994
[4] Arnlund D, 2014, NAT METHODS, V11, P923, DOI [10.1038/NMETH.3067, 10.1038/nmeth.3067]
[5] Spectral encoding of x-ray/optical relative delay
Bionta, Mina R.
Lemke, H. T.
Cryan, J. P.
Glownia, J. M.
Bostedt, C.
Cammarata, M.
Castagna, J. -C.
Ding, Y.
Fritz, D. M.
Fry, A. R.
Krzywinski, J.
Messerschmidt, M.
Schorb, S.
Swiggers, M. L.
Coffee, R. N.
[J]. OPTICS EXPRESS, 2011, 19 (22): : 21855 - 21865
[6] Extended subnanosecond structural dynamics of myoglobin revealed by Laue crystallography
Bourgeois, D
Vallone, B
Arcovito, A
Sciara, G
Schotte, F
Anfinrud, PA
Brunori, M
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2006, 103 (13) : 4924 - 4929
[7] High-Resolution Protein Structure Determination by Serial Femtosecond Crystallography
Boutet, Sebastien
Lomb, Lukas
Williams, Garth J.
Barends, Thomas R. M.
Aquila, Andrew
Doak, R. Bruce
Weierstall, Uwe
DePonte, Daniel P.
Steinbrener, Jan
Shoeman, Robert L.
Messerschmidt, Marc
Barty, Anton
White, Thomas A.
Kassemeyer, Stephan
Kirian, Richard A.
Seibert, M. Marvin
Montanez, Paul A.
Kenney, Chris
Herbst, Ryan
Hart, Philip
Pines, Jack
Haller, Gunther
Gruner, Sol M.
Philipp, Hugh T.
Tate, Mark W.
Hromalik, Marianne
Koerner, Lucas J.
van Bakel, Niels
Morse, John
Ghonsalves, Wilfred
Arnlund, David
Bogan, Michael J.
Caleman, Carl
Fromme, Raimund
Hampton, Christina Y.
Hunter, Mark S.
Johansson, Linda C.
Katona, Gergely
Kupitz, Christopher
Liang, Mengning
Martin, Andrew V.
Nass, Karol
Redecke, Lars
Stellato, Francesco
Timneanu, Nicusor
Wang, Dingjie
Zatsepin, Nadia A.
Schafer, Donald
Defever, James
Neutze, Richard
[J]. SCIENCE, 2012, 337 (6092) : 362 - 364
[8] Rapid timescale processes and the role of electronic surface coupling in the photolysis of diatomic ligands from heme proteins
Champion, PM
Rosca, F
Ionascu, D
Cao, WX
Ye, X
[J]. FARADAY DISCUSSIONS, 2004, 127 : 123 - 135
[9] Structure of a ligand-binding intermediate in wild-type carbonmonoxy myoglobin
Chu, K
Vojtchovsky, J
McMahon, BH
Sweet, RM
Berendzen, J
Schlichting, I
[J]. NATURE, 2000, 403 (6772) : 921 - 923
[10] Ultrafast phase grating studies of heme proteins:: Observation of the low-frequency modes directing functionally important protein motions
Deàk, J
Chin, HL
Lewis, CM
Miller, RJD
[J]. JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (34) : 6621 - 6634

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