Myoglobin-CO conformational substate dynamics: 2D vibrational echoes and MD simulations

Biophysical Journal

Volumn 82, Issue 6, 2002, Pages 3277-3288

  Merchant, Kusai A ^a   Thompson, David E ^a   Xu, Qing Hua ^a   Williams, Ryan B ^b   Loring, Roger F ^b   Fayer, Michael D ^a  

^a STANFORD UNIVERSITY   (United States)

^b Department of Population Medicine and Diagnostic Sciences   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MYOGLOBIN;

ARTICLE; CONFORMATIONAL TRANSITION; MOLECULAR DYNAMICS; MOLECULAR PROBE; MOLECULAR RECOGNITION; NEUTRON SCATTERING; PHASE SEPARATION; PROTEIN CONFORMATION; SIMULATION; SPECTROSCOPY; TEMPERATURE DEPENDENCE; VIBRATION; X RAY CRYSTALLOGRAPHY;

EQUUS CABALLUS;

EID: 0036105752     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(02)75669-5     Document Type: Article

References (47)

1. Photon echoes
2. Vibrational echoes for classical and quantum solutes
3. Two-pulse echo experiments in the spectral diffusion regime
4. NMR-spectra of some simple spin systems studied by 2-dimensional Fourier transform of spin echoes
5. Dynamic protein structures: Infrared evidence for four discrete rapidly interconverting conformers at the carbon monoxide binding site of bovine heart myoglobin
6. Neutron diffraction study of carbonmonoxymyoglobin
7. Multiple conformational states of proteins: A molecular dynamics analysis of myoglobin
8. Theory of nonlinear optical experiments with harmonic oscillators
9. Coupling and orientation between anharmonic vibrations characterized with two-dimensional infrared vibrational echo spectroscopy
10. Spin echoes
11. Structure and dynamics of proteins and peptides: Femtosecond two-dimensional infrared spectroscopy
12. Non-Markovian dynamics of the vibrations of ions in water from femtosecond infrared three-pulse photon echoes
13. Conformational substates and motions in myoglobin
14. Ligand binding to heme proteins. 6. Interconversion of taxonomic substates in carbonmonoxy-myoglobin
15. Preliminary x-ray data from horse and whale myoglobin
16. A stochastic theory of line-shape and relaxation
17. X-ray structure and refinement of carbon-monoxy (Fe II)-myoglobin at 1.5 Å resolution
18. NMR reveals hydrogen bonds between oxygen and distal histidines in oxyhemoglobin
19. Computer simulations of carbon monoxide photodissociation in myoglobin: Structural interpretation of the B states
20. Two-dimensional time-frequency ultrafast infrared vibrational echo spectroscopy
21. Accidental degeneracy beats: A new beat phenomenon in non-linear optical spectroscopy
22. Identification of conformational substates in oxymyoglobin through the pH-dependence of the low-temperature photoproduct yield
23. Connection between the taxonomic substates of protonation of histidines 64 and 97 in carbonmonoxy myoglobin
24. A molecular model for conformational substates in heme proteins
25. Vibrational stark spectroscopy in proteins: A probe and calibration for electrostatic fields
26. Bound CO is a molecular probe of electrostatic potential in the distal pocket of myoglobin
27. Vibrational dephasing mechanisms in liquids and glasses: Vibrational echo experiments
28. Myoglobin dynamics measured with vibrational echo experiments
29. Dynamics of myoglobin-CO with the proximal histidine removed: Vibrational echo experiments
30. A dynamical transition in the protein myoglobin observed by infrared vibrational echo experiments
31. Effects of solvent viscosity on protein dynamics: Infrared vibrational echo experiments and theory
32. Vibrational anharmonicity and multilevel vibrational dephasing from vibrational echo beats
33. Mutant and wild type myoglobin-CO protein dynamics: Vibrational echo experiments
34. Influence of the heme pocket conformation on the structure and vibrations of the Fe-CO bond in myoglobin: A QM/MM density functional study
35. Vibrational population relaxation of carbon monoxide in the heme pocket of carbonmonoxy myoglobin: Comparison of time-resolved mid-IR absorption experiments and molecular dynamics simulations
36. The structural, dynamic, and electronic roles of His64 and Arg45 in the spectroscopic A-states of carbonmonoxy myoglobin: Multiple molecular dynamics simulations, multivariate analysis and quantum mechanical computations
37. Dynamic protein structures
38. Two-dimensional ultrafast infrared vibrational echo studies of solute-solvent interactions and dynamics
39. Homogeneous vibrational dynamics and inhomogeneous broadening in glass-forming liquids: Infrared photon echo experiments from room temperature to 10 K
40. Crystal structures of myoglobin-ligand complexes at near atomic resolution
41. Classical mechanical photon echo of a solvated anharmonic vibration
42. Computing the classical mechanical vibrational echo with the fluctuating frequency approximation
43. Vibrational dephasing of carbonmonoxy myoglobin
44. Heterodyned two-dimensional infrared spectroscopy of solvent-dependent conformations of acetylproline-NH2
45. Picosecond infrared vibrational echoes in a liquid and glass using a free electron laser