Methyl group dynamics as a probe of the protein dynamical transition.

Methyl group dynamics as a probe of the protein dynamical transition. Research Abstract Details 

Research Abstract Table of Contents

Jump to the:

Methyl group dynamics as a probe of the protein dynamical transition. Abstract Text:

Joseph E Curtis,Mounir Tarek,Douglas J Tobias,

Hydrated proteins undergo a dynamical transition around 200 K from glasslike to liquidlike motion. Molecular dynamics simulations have been used to study the temperature dependence of the dynamics of ribonuclease A in the hydrated crystal, a model dehydrated powder, and aqueous solution. Changes in the dynamics accompanying the transition throughout the protein have been quantified in terms of the mean-squared fluctuations (MSFs) of methyl hydrogen atoms on the 100 ps time scale. In solution at 300 K the MSFs span a broad distribution, consistent with NMR relaxation measurements. The MSF distribution in the hydrated crystal at 300 K is qualitatively similar to the solution result, except for a slight shift to lower values, and dehydration results in a dramatic shift of the MSFs to lower values. As the temperature is lowered, the whole distribution of methyl group fluctuations in the hydrated crystal shifts to lower values. Most of the methyl groups in the hydrated protein display a nonlinear temperature dependence with a dynamical transition at approximately 200 K, but most methyl groups do not undergo a transition in the dehydrated protein. We conclude that the dynamical transition occurs throughout most of the protein and that solvent is required for the transition.

Methyl group dynamics as a probe of the protein dynamical transition. Publishing Authors By Initials

JE Curtis,M Tarek,DJ Tobias,

For similar water research abstracts see: water research

PUBMED ID PMID:

MEDLINE DATE:

Methyl group dynamics as a probe of the protein dynamical transition. Journal Published:

PUBLICATION TYPE: Research Support, U.S. Gov't,

Journal: Journal of the American Chemical Society

VOLUME: 126

Page Numbers: 15928-9

Journal Abbreviation: J. Am. Chem. Soc.

ISSN: 0002-7863

DAY: 15

MONTH: Dec

YEAR: 2004

Methyl group dynamics as a probe of the protein dynamical transition. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 7503056

Methyl group dynamics as a probe of the protein dynamical transition. Keywords Mesh Terms:

KEYWORDS: Water

MESH TERMS: chemistry

Chemical & Substance for Abstract: Methyl group dynamics as a probe of the protein dynamical transition. Information

Substance Name: Ribonuclease, Pancreatic

Registry Number: EC 3.1.27.5

Grant and Affiliation Information for Methyl group dynamics as a probe of the protein dynamical transition.

AFFILIATION: NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA.

Country: United States

AGENCY:

GRANT:

ACRONYM:

MEDLINETA: J Am Chem Soc

REFSOURCE:

DATABASENAME:

ACCESSION NUMBER:

Number Hits: 0

Methyl group dynamics as a probe of the protein dynamical transition Related Publications

• 15. Reactions of calf thymus DNA with the electrophiles methylmercury(ii) nitrate, cis-dichlorodiammineplatinum(ii), and trans-dichlorodiammineplatinum(ii) studied using raman difference spectroscopy Evidence for the formation of c-DNA upon metalation.
• Acute subacute bacterial endocarditis.
• An unusual presacral tumor.
• An unusual presacral tumor.
• Application of beta-lactamase enzyme complementation to the high-throughput screening of toll-like receptor signaling inhibitors.
• Aromatase Inhibitors in Early Hormone Receptor-Positive Breast Cancer : What is the Optimal Initiation Time for the Maximum Benefit?
• Bone fragility contributes to the risk of fracture in children, even after moderate and severe trauma.
• Cardiovascular device infections in dogs: report of 8 cases and review of the literature.
• Chancres of the tongue.
• Combined general and spinal anesthesia in an infant with single-ventricle physiology undergoing anorectoplasty for an imperforate anus.
• Diffraction-based density restraints for membrane and membrane-peptide molecular dynamics simulations.
• Diffusion-weighted MRI for quantification of liver fibrosis: preliminary experience.
• Hydroxyl radical at the air-water interface.
• Impaired growth plate function in bmp-6 null mice.
• Increased bone morphogenetic protein-6 expression in mouse long bones after estrogen administration.
• Intentional use of intra-arterial medications when venous access is not available.
• Methyl group dynamics as a probe of the protein dynamical transition.
• Minimally invasive per-catheter patent ductus arteriosus occlusion in dogs using a prototype duct occluder.
• Neoplastic cell transformation by heavy charged particles.
• Optimal experimental design in chromatography.
• Perioperative care of the patient with osteogenesis imperfecta.
• Pro: dexmedetomidine should be used for infants and children undergoing cardiac surgery.
• Resuscitation apparatus. No. 2,453,475.
• TLRs in disease.
• The Amplatz canine duct occluder: a novel device for patent ductus arteriosus occlusion.
• The cannabinoid receptor agonists, anandamide and WIN 55,212-2, do not directly affect mu opioid receptors expressed in Xenopus oocytes.
• The repair-misrepair model in radiobiology: comparison to other models.
• The toll of Toll-like receptors, especially toll-like receptor 2, on murine atherosclerosis.
• Tickbite granuloma.
• [Not Available.]