Track topics on Twitter Track topics that are important to you
Chlorophylls are fundamental macrocyclic cofactors in photosynthetic reaction centers and light-harvesting complexes. Their biological function is well understood on the basis of protein structural data and a significant body of information indicates that the conformation of tetrapyrroles plays a large role in controlling their biological activity. While there is no small molecule crystal structure of chlorophyll, the normal-coordinate structural decomposition (NSD) method is a very useful analytical tool for conformational analysis of chlorophylls, using tetrapyrroles that mimic their structure. NSD allows for an analysis of the individual macrocyclic distortion modes and their contributions to the overall conformation. Herein, we present our own validation of the NSD program and use it to carry out a conformational analysis of chlorophyll-related compounds. Metal insertions, peripheral substituents, and solvents in the unit cell give rise to different NSD profiles in chlorophyll derivatives. These range from planar and non-planar conformations upon metal insertions, to polar peripheral substituents, and fused rings in chlorins. Substituent effects are clearly evidenced in highly β-substituted chlorins and while bacteriochlorins and isobacteriochlorins experience similar effects to the chlorins, they are also subject to solvent effects, causing the macrocycle to be non-planar. Overall, we report a first conformational analysis of all 'chlorophyll'-related small molecule crystal structures at an atomic level.
This article was published in the following journal.
The contents of photosynthetic pigments are an important indicator of many processes taking place in the plant body. Still, however, our knowledge of the effects of polyploidization, a major driver of...
Efficient computational modeling of biological systems characterized by high concentrations of macromolecules often relies on rigid-body Brownian Dynamics or Monte Carlo (MC) simulations. However, the...
Ryanodine receptors (RyRs) are large conductance intracellular channels controlling intracellular calcium homeostasis in myocytes, neurons, and other cell types. Loss of RyR's constitutive cytoplasmic...
α-Amino acid residues with a ϕ,ψ constrained conformation are known to significantly bias the peptide backbone 3D structure. An intriguing member of this class of compounds is (αMe)Aze, characteri...
Substrate-binding proteins (SBPs) are associated with ATP-binding cassette importers and switch from an open to a closed conformation upon substrate binding, providing specificity for transport. We in...
Age-related macular degeneration (AMD) is the leading cause of blindness in the United States. Low dietary intake or low blood levels of lutein and zeaxanthin, which are the only pigments...
According to a large amount of case affected with hepatolithiasis, we developed a typing system of Hepatolithiasis based on 3D digital conformation. And we hypothesized that it could predi...
A study of the skeletal structure and how the structure changes over time. The aim of the study is to evaluate the skeleton in 10 year increments to determine an understanding of the norma...
The availability of noninvasive biomarkers for diagnosis and stratification of inflammatory bowel disease (IBD) courses is lacking. Thus, the aim of this study is to evaluated the accuracy...
The purpose of this study is to evaluate local disease control after 2 years in patients with non-metastatic, non-operated non-small-cell lung cancer treated by radiotherapy. Eligible pat...
Variation in a population's DNA sequence that is detected by determining alterations in the conformation of denatured DNA fragments. Denatured DNA fragments are allowed to renature under conditions that prevent the formation of double-stranded DNA and allow secondary structure to form in single stranded fragments. These fragments are then run through polyacrylamide gels to detect variations in the secondary structure that is manifested as an alteration in migration through the gels.
The characteristic 3-dimensional shape of a protein, including the secondary, supersecondary (motifs), tertiary (domains) and quaternary structure of the peptide chain. PROTEIN STRUCTURE, QUATERNARY describes the conformation assumed by multimeric proteins (aggregates of more than one polypeptide chain).
Pyrrole containing pigments found in photosynthetic bacteria.
Body of knowledge related to the use of organisms, cells or cell-derived constituents for the purpose of developing products which are technically, scientifically and clinically useful. Alteration of biologic function at the molecular level (i.e., GENETIC ENGINEERING) is a central focus; laboratory methods used include TRANSFECTION and CLONING technologies, sequence and structure analysis algorithms, computer databases, and gene and protein structure function analysis and prediction.
Organelles of phototrophic bacteria which contain photosynthetic pigments and which are formed from an invagination of the cytoplasmic membrane.
Biological therapy involves the use of living organisms, substances derived from living organisms, or laboratory-produced versions of such substances to treat disease. Some biological therapies for cancer use vaccines or bacteria to stimulate the body&rs...