Literature DB >> 17307822

Theoretical characterization of carbon monoxide vibrational spectrum in sperm whale myoglobin distal pocket.

Massimiliano Anselmi1, Massimiliano Aschi, Alfredo Di Nola, Andrea Amadei.   

Abstract

In this article we use the perturbed matrix method and an extended molecular dynamics sampling of the carbon monoxide (CO) in the myoglobin distal pocket to characterize the CO vibrational spectrum and hence to relate its spectroscopic features with the atomic-molecular behavior. Results show the accuracy of the method employed and confirm the assignment of the spectroscopic B1 and B2 states proposed by Lim et al.

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Year:  2007        PMID： 17307822      PMCID： PMC1853160          DOI： 10.1529/biophysj.106.098442

Source DB:  PubMed          Journal:  Biophys J        ISSN： 0006-3495            Impact factor:   4.033


  40 in total

1.  A steric mechanism for inhibition of CO binding to heme proteins.

Authors:  G S Kachalova; A N Popov; H D Bartunik
Journal:  Science       Date:  1999-04-16       Impact factor: 47.728

2.  Theoretical investigation of infrared spectra and pocket dynamics of photodissociated carbonmonoxy myoglobin.

Authors:  David R Nutt; Markus Meuwly
Journal:  Biophys J       Date:  2003-12       Impact factor: 4.033

3.  X-ray studies of compounds of biological interest.

Authors:  J C KENDREW; M F PERUTZ
Journal:  Annu Rev Biochem       Date:  1957       Impact factor: 23.643

4.  Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobin.

Authors:  Cecilia Bossa; Massimiliano Anselmi; Danilo Roccatano; Andrea Amadei; Beatrice Vallone; Maurizio Brunori; Alfredo Di Nola
Journal:  Biophys J       Date:  2004-06       Impact factor: 4.033

5.  Quantum chemical evaluation of protein control over heme ligation: CO/O2 discrimination in myoglobin.

Authors:  Filippo De Angelis; Andrzej A Jarzecki; Roberto Car; Thomas G Spiro
Journal:  J Phys Chem B       Date:  2005-02-24       Impact factor: 2.991

6.  A comparison between molecular dynamics and X-ray results for dissociated CO in myoglobin.

Authors:  D Vitkup; G A Petsko; M Karplus
Journal:  Nat Struct Biol       Date:  1997-03

7.  Ligand migration in sperm whale myoglobin.

Authors:  E E Scott; Q H Gibson
Journal:  Biochemistry       Date:  1997-09-30       Impact factor: 3.162

8.  Cavities in proteins: structure of a metmyoglobin-xenon complex solved to 1.9 A.

Authors:  R F Tilton; I D Kuntz; G A Petsko
Journal:  Biochemistry       Date:  1984-06-19       Impact factor: 3.162

9.  Mapping the pathways for O2 entry into and exit from myoglobin.

Authors:  E E Scott; Q H Gibson; J S Olson
Journal:  J Biol Chem       Date:  2000-10-03       Impact factor: 5.157

10.  Orientational distribution of CO before and after photolysis of MbCO and HbCO: a determination using time-resolved polarized Mid-IR spectroscopy.

Authors:  Manho Lim; Timothy A Jackson; Philip A Anfinrud
Journal:  J Am Chem Soc       Date:  2004-06-30       Impact factor: 15.419
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  9 in total

Review 1.  Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction.

Authors:  Carlos R Baiz; Bartosz Błasiak; Jens Bredenbeck; Minhaeng Cho; Jun-Ho Choi; Steven A Corcelli; Arend G Dijkstra; Chi-Jui Feng; Sean Garrett-Roe; Nien-Hui Ge; Magnus W D Hanson-Heine; Jonathan D Hirst; Thomas L C Jansen; Kijeong Kwac; Kevin J Kubarych; Casey H Londergan; Hiroaki Maekawa; Mike Reppert; Shinji Saito; Santanu Roy; James L Skinner; Gerhard Stock; John E Straub; Megan C Thielges; Keisuke Tominaga; Andrei Tokmakoff; Hajime Torii; Lu Wang; Lauren J Webb; Martin T Zanni
Journal:  Chem Rev       Date:  2020-06-29       Impact factor: 60.622

2.  Ligand migration and binding in the dimeric hemoglobin of Scapharca inaequivalvis.

Authors:  Karin Nienhaus; James E Knapp; Pasquale Palladino; William E Royer; G Ulrich Nienhaus
Journal:  Biochemistry       Date:  2007-11-15       Impact factor: 3.162

3.  Electrostatic fields near the active site of human aldose reductase: 2. New inhibitors and complications caused by hydrogen bonds.

Authors:  Lin Xu; Aina E Cohen; Steven G Boxer
Journal:  Biochemistry       Date:  2011-09-06       Impact factor: 3.162

Review 4.  Quantitative molecular simulations.

Authors:  Kai Töpfer; Meenu Upadhyay; Markus Meuwly
Journal:  Phys Chem Chem Phys       Date:  2022-06-01       Impact factor: 3.945

5.  Molecular dynamics study of hell's gate globin I (HGbI) from a methanotrophic extremophile: oxygen migration through a large cavity.

Authors:  E Irene Newhouse; James S Newhouse; Maqsudul Alam
Journal:  J Mol Model       Date:  2013-02-02       Impact factor: 1.810

6.  The role of higher CO-multipole moments in understanding the dynamics of photodissociated carbonmonoxide in myoglobin.

Authors:  Nuria Plattner; Markus Meuwly
Journal:  Biophys J       Date:  2008-01-04       Impact factor: 4.033

7.  The kinetics of ligand migration in crystallized myoglobin as revealed by molecular dynamics simulations.

Authors:  Massimiliano Anselmi; Alfredo Di Nola; Andrea Amadei
Journal:  Biophys J       Date:  2008-02-29       Impact factor: 4.033

Review 8.  Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches.

Authors:  Sergey V Antipov; Swarnendu Bhattacharyya; Krystel El Hage; Zhen-Hao Xu; Markus Meuwly; Ursula Rothlisberger; Jiří Vaníček
Journal:  Struct Dyn       Date:  2018-01-08       Impact factor: 2.920

9.  Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin.

Authors:  Giovanni Chillemi; Massimiliano Anselmi; Nico Sanna; Cristiano Padrin; Lodovico Balducci; Marco Cammarata; Elisabetta Pace; Majed Chergui; Maurizio Benfatto
Journal:  Struct Dyn       Date:  2018-09-12       Impact factor: 2.920
  9 in total

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