Dielectric dispersion and dipole moment of myoglobin in water

1972 ◽  
Vol 328 (1574) ◽  
pp. 371-387 ◽  
Keyword(s):  
Crystal Structure ◽  
Dipole Moment ◽  
Protein Concentration ◽  
Hydration Shell ◽  
Sperm Whale ◽  
Dielectric Dispersion ◽  
Water Molecules ◽  
Solution Conductivity ◽  
Sperm Whale Myoglobin ◽  
Good Agreement

The parameters of dielectric dispersion at radio frequencies in aqueous solutions of horse and sperm whale myoglobin have been measured as functions of protein concentration, solution conductivity and temperature. From these dependences it is shown that, of the likely interpretations, the mechanism of molecular rotation is best able to account for the observed dispersion. The results are consistent with a dipole moment of around 150D for the myoglobin molecule and a hydration shell of about two water molecules thickness. This value of dipole moment is shown to be in good agreement with that obtained from calculations based on the known crystal structure.

X-ray crystal structure of the ferric sperm whale myoglobin: Imidazole complex at 2.0 Å resolution

1991 ◽  
Vol 217 (3) ◽  
pp. 409-412 ◽  
Author(s):  
Claudia Lionetti ◽  
Maria Grazia Guanziroli ◽  
Francesco Frigerio ◽  
Paolo Ascenzi ◽  
Martino Bolognesi
Keyword(s):  
Crystal Structure ◽  
Sperm Whale ◽  
X Ray ◽  
Sperm Whale Myoglobin

The crystal structure of myoglobin III. Sperm-whale myoglobin

1957 ◽  
Vol 238 (1214) ◽  
pp. 305-324 ◽  
Keyword(s):  
Sperm Whale ◽  
Two Dimensional ◽  
Crystal Forms ◽  
Space Group ◽  
Spin Resonance ◽  
Orthorhombic Crystals ◽  
Optical Dichroism ◽  
Sperm Whale Myoglobin ◽  
Identical Crystal ◽  
Good Agreement

Myoglobin of Physeter catodon (sperm whale) forms monoclinic crystals with space group P 2 1 (type A ) in ammonium sulphate, and orthorhombic crystals with space group P 2 1 2 1 2 1 (type B ) in phosphate. Almost identical crystal forms are obtained from related species of whale. Two-dimensional Patterson projections have been computed from some principal zones of reflexions in each type of crystal. They are used to derive the chain directions of the poly­peptide chains in the molecules relative to the crystal axes, and to suggest plausible methods of packing in the two forms. The data are best fitted by a molecule having dimensions about 25 x 34 x 42 Å, the latter dimension being parallel to the chain direction. Measurements of electron-spin resonance (Bennett & Ingram 1956) and of optical dichroism have been used to determine the orientation of the planes of the haem group and the angle between them and the chains. It is concluded that the angle is 40 to 50° in the two forms, in good agreement with the value found for type F crystals in an earlier paper, namely, 41°. Thus in all three crystal types A , B and F the data are consistent with the molecule having the same set of dimensions, associated with a common chain direction and a common relation between chain direction and haem group.

The dipole moment of water in the first hydration shell of a monovalent ion

1968 ◽  
Vol 46 (21) ◽  
pp. 2407-2411 ◽  
Author(s):  
Dieter K. Ross
Keyword(s):  
Dielectric Constant ◽  
Dipole Moment ◽  
Continuous Medium ◽  
Hydration Shell ◽  
Bulk Water ◽  
Water Molecules ◽  
The Mean ◽  
Monovalent Ion ◽  
Coordinated Water ◽  
First Hydration Shell

The mean dipole moment of the water molecules in contact with a monovalent ion is estimated. The first hydration shell of a spherical ion is assumed to contain either four or six coordinated water molecules, while the water molecules outside this shell are replaced by a continuous medium whose dielectric constant is that corresponding to bulk water at 25 °C. It is found that the dipole moment induced in the attached water molecules is comparable with its permanent dipole moment.

A Comparative X-Ray Diffraction Study of Aqueous MnSO4 and Crystals of MnSO4·5H2O

1982 ◽  
Vol 37 (6) ◽  
pp. 581-586 ◽  
Author(s):  
R. Caminiti ◽  
G. Marongiu ◽  
G. Paschina
Keyword(s):  
Crystal Structure ◽  
Experimental Data ◽  
Single Crystal ◽  
Diffraction Study ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Scattering ◽  
Good Agreement ◽  
Single Crystal Analysis

Abstract X-ray single crystal analysis of MnSO4·5H2O shows that the manganese atoms are octahedrally coordinated by oxygen atoms, four of which belong to water molecules and two to sulphate groups. A model derived from the crystal structure was fitted to the X-ray scattering intensities from aqueous MnSO4. Good agreement with experimental data is achieved using a model in which Mn(H2O)6-z(OSO3)z+2-2z interacts with about ten water molecules and each sulphate ion with about seven water molecules.

Crystal structure of a distal site double mutant of sperm whale myoglobin at 1.6 Å resolution

FEBS Letters ◽  
1993 ◽  
Vol 320 (1) ◽  
pp. 13-16 ◽  
Author(s):  
Menico Rizzi ◽  
Martino Bolognesi ◽  
Alessandro Coda ◽  
Francesca Cutruzzolà ◽  
Carlo Travaglini Allocatelli ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Double Mutant ◽  
Sperm Whale ◽  
Distal Site ◽  
Sperm Whale Myoglobin

scholarly journals The Interaction Energy of an Isolated Monovalent Ion

1968 ◽  
Vol 21 (5) ◽  
pp. 597 ◽  
Author(s):  
DK Ross
Keyword(s):  
Dipole Moment ◽  
Aqueous Medium ◽  
Interaction Energy ◽  
Dipole Moments ◽  
Hydration Shell ◽  
Water Molecules ◽  
Li Ion ◽  
Monovalent Ion ◽  
First Hydration Shell

The interaction energy of a monovalent ion in an aqueous medium at 25�C is determined. It is also found that the water molecules in the first hydration shell of the ion have a mean dipole moment far in excess of their permanent dipole moments. Thus, for example, the increase in the dipole moment of the attached water molecules. due to the presence of an ion is about 60% for the small four-coordinated Li+ ion and about 30% for the larger four-coordinated 1- ion. Calculations are also carried out on the assumption that the ions are six coordinated.

scholarly journals Hyaluronan orders water molecules in its nanoscale extended hydration shells

2021 ◽  
Vol 7 (10) ◽  
pp. eabf2558
Author(s):  
J. Dedic ◽  
H. I. Okur ◽  
S. Roke
Keyword(s):  
Second Harmonic ◽  
Hydration Shell ◽  
Water Molecules ◽  
Temperature Dependent ◽  
Flexible Chain ◽  
Optical Modeling ◽  
Hydration Shells ◽  
Second Harmonic Scattering ◽  
Nuclear Quantum Effects ◽  
Extracellular Environment

Hyaluronan (HA) is an anionic, highly hydrated bio-polyelectrolyte found in the extracellular environment, like the synovial fluid between joints. We explore the extended hydration shell structure of HA in water using femtosecond elastic second-harmonic scattering (fs-ESHS). HA enhances orientational water-water correlations. Angle-resolved fs-ESHS measurements and nonlinear optical modeling show that HA behaves like a flexible chain surrounded by extended shells of orientationally correlated water. We describe several ways to determine the concentration-dependent size and shape of a polyelectrolyte in water, using the amount of water oriented by the polyelectrolyte charges as a contrast agent. The spatial extent of the hydration shell is determined via temperature-dependent measurements and can reach up to 475 nm, corresponding to a length of 1600 water molecules. A strong isotope effect, stemming from nuclear quantum effects, is observed when light water (H2O) is replaced by heavy water (D2O), amounting to a factor of 4.3 in the scattered SH intensity.

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