Feb 4, 2010

Tracking the flow of water through photosystem II using molecular dynamics and streamline tracing

Biochemistry
Serguei VassilievDoug Bruce

Abstract

The CaMn(4) cluster of the oxygen-evolving complex (OEC) of photosynthesis catalyzes the light-driven splitting of water into molecular oxygen, protons, and electrons. The OEC is buried within photosystem II (PSII), a multisubunit integral membrane protein complex, and water must find its way to the CaMn(4) cluster by moving through protein. Channels for water entrance, and proton and oxygen exit, have previously been proposed following the analysis of cavities found within X-ray structures of PSII. However, these analyses do not account for the dynamic motion of proteins and cannot track the movement of water within PSII. To study water dynamics in PSII, we performed molecular dynamics simulations and developed a novel approach for the visualization of water diffusion within protein based on a streamline tracing algorithm used in fluid dynamics and diffusion tensor imaging. We identified a system of branching pathways of water diffusion in PSII leading to the OEC that connect to a number of distinct entrance points on the lumenal surface. We observed transient changes in the connections between channels and entrance points that served to moderate both the flow of water near the OEC and the exchange of water inside and outside ...Continue Reading

  • References
  • Citations33

References

  • We're still populating references for this paper, please check back later.
  • References
  • Citations33

Citations

Mentioned in this Paper

Molecular Dynamics
Biochemical Pathway
Dioxygen
Water Movements
Plain X-ray
Crystallography, X-Ray
Body Cavities
Ion Channel
Dental Caries
Diffusion

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Synthetic Genetic Array Analysis

Synthetic genetic arrays allow the systematic examination of genetic interactions. Here is the latest research focusing on synthetic genetic arrays and their analyses.

Autism: Motor Learning

A common feature of autism spectrum disorder (ASD) is the impairment of motor control and learning, consistent with perturbation in cerebellar function. Find the latest research on ASD and motor learning here.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

Sexual Dimorphism in Neurodegeneration

There exist sex differences in neurodevelopmental and neurodegenerative disorders. For instance, multiple sclerosis is more common in women, whereas Parkinson’s disease is more common in men. Here is the latest research on sexual dimorphism in neurodegeneration

Protein Localization in Disease & Therapy

Localization of proteins is critical for ensuring the correct location for physiological functioning. If an error occurs, diseases such as cardiovascular, neurodegenerative disorders and cancers can present. Therapies are being explored to target this mislocalization. Here is the latest research on protein localization in disease and therapy.

Genetic Screens in Bacteria

Genetic screens can provide important information on gene function as well as the molecular events that underlie a biological process or pathway. Here is the latest research on genetic screens in bacteria.

Head And Neck Squamous Cell Carcinoma

Squamous cell carcinomas account for >90% of all tumors in the head and neck region. Head and neck squamous cell carcinoma incidence has increased dramatically recently with little improvement in patient outcomes. Here is the latest research on this aggressive malignancy.

Artificial Intelligence in Cardiac Imaging

Artificial intelligence (ai) techniques are increasingly applied to cardiovascular (cv) medicine in cardiac imaging analysis. Here is the latest research.