The Effect of Arginine on the Phase Stability of Aqueous Hen Egg-White Lysozyme Solutions
Abstract
:1. Introduction
2. Results and Discussion
2.1. Added Arginine Increments the Phase Stability of HEWL Solutions—Experimental Observation
2.2. MD Simulations Show That Arginine Molecules Have a Strong Tendency toward Self-Association
2.2.1. Addition of Arginine Reduces the Self-Association of HEWL
2.2.2. Changing the Force Field in Our Case Does Not Affect the Influence of Arginine on HEWL
3. Materials and Methods
3.1. Materials
3.2. Experimental Methods
3.2.1. NaBr-ACES Arginine Solutions
3.2.2. HEWL-ACES Solutions
3.2.3. Cloud-Point Measurements
3.3. MD Simulations
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
Abbreviations
ACES | 2-[(2-Amino-2-oxoethyl)amino]ethane-1-sulfonic acid |
COM | center of mass |
HEWL | hen egg-white lysozyme |
MD | molecular dynamics |
PDB | Protein Data Bank |
PME | particle-mesh Ewald |
cloud-point temperature |
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ResID | ResNAME | SimTIME/% |
---|---|---|
101 | ASP | 89.8 ± 2.3 |
18 | ASP | 77.8 ± 6.5 |
19 | ASN | 74.8 ± 5.9 |
128 | ARG | 71.5 ± 4.8 |
62 | TRP | 70.3 ± 5.9 |
73 | ARG | 68.5 ± 6.4 |
35 | GLU | 62.8 ± 7.3 |
21 | ARG | 57.7 ± 6.4 |
44 | ASN | 54.0 ± 4.6 |
61 | ARG | 53.5 ± 8.5 |
7 | GLU | 53.4 ± 6.9 |
14 | ARG | 53.1 ± 3.9 |
45 | ARG | 51.8 ± 6.4 |
125 | ARG | 51.7 ± 7.3 |
129 | LEU | 50.7 ± 5.7 |
68 | ARG | 50.2 ± 6.6 |
46 | ASN | 46.0 ± 8.6 |
48 | ASP | 43.9 ± 7.2 |
52 | ASP | 43.2 ± 9.7 |
112 | ARG | 42.9 ± 6.8 |
ResNAME | TotalTIME/% | NumRESIDUES |
---|---|---|
GLU | 58.1 ± 7.1 | 2 |
ARG | 52.2 ± 6.6 | 11 |
ASP | 46.4 ± 6.1 | 7 |
ASN | 26.1 ± 4.5 | 14 |
PRO | 23.9 ± 4.1 | 2 |
TRP | 20.8 ± 3.5 | 6 |
GLN | 20.3 ± 6.5 | 3 |
LYS | 19.4 ± 4.1 | 6 |
GLY | 16.8 ± 3.3 | 12 |
THR | 15.6 ± 3.5 | 7 |
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Brudar, S.; Hribar-Lee, B. The Effect of Arginine on the Phase Stability of Aqueous Hen Egg-White Lysozyme Solutions. Int. J. Mol. Sci. 2023, 24, 1197. https://doi.org/10.3390/ijms24021197
Brudar S, Hribar-Lee B. The Effect of Arginine on the Phase Stability of Aqueous Hen Egg-White Lysozyme Solutions. International Journal of Molecular Sciences. 2023; 24(2):1197. https://doi.org/10.3390/ijms24021197
Chicago/Turabian StyleBrudar, Sandi, and Barbara Hribar-Lee. 2023. "The Effect of Arginine on the Phase Stability of Aqueous Hen Egg-White Lysozyme Solutions" International Journal of Molecular Sciences 24, no. 2: 1197. https://doi.org/10.3390/ijms24021197