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Calbindin D is a member of the S100 subfamily of EF-hand calcium binding proteins, and has served as an important model system for biophysical studies. The fast timescale dynamics of the calcium-free (apo) state is characterized using molecular dynamics simulations. Order parameters for the backbone NH bond vectors are determined from the simulations and compared with experimentally derived values, with a focus on the dynamics of calcium-binding site I. There is a significant discrepancy between simulated and experimental order parameters for site I residues in the case of no ion bound in site I. However, it was found in the simulations that a Na ion can bind in site I, and the resulting order parameters determined from the simulations are in excellent agreement with experiment. Comparisons are made to X-ray structures of other S100 family members in which Na ions were observed or suggested to be bound in site I. © 2019 Wiley Periodicals, Inc.
This article was published in the following journal.
Name: Journal of computational chemistry
This paper takes the cue from the previously solved crystal structure of human apo-S100Z and compares it with that of the calcium-bound S100Z from zebrafish in order to stress, for this particular S10...
S100 proteins are small, mostly dimeric, EF-hand Ca-binding proteins. Upon Ca binding, a conformational change occurs resulting in the exposure of a shallow hydrophobic binding groove in each subunit....
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An S100 calcium binding protein that contains two EF HAND MOTIFS and plays a role as a calcium sensor and modulator for many cellular processes such as CELL CYCLE progression; CELL MOTILITY and reorganization of the ACTIN CYTOSKELETON. Its expression is induced by growth factors and it is overexpressed in patients with ACUTE MYELOID LEUKEMIA.
An S100 calcium binding protein that contains two EF HAND MOTIFS and also binds zinc. It is secreted via a non-classical secretory pathway and expressed by KERATINOCYTES and epithelial cells of the tongue. It has antimicrobial and immunomodulatory activities and is highly expressed in the skin of patients with PSORIASIS, as well as in bladder and skin epithelial carcinomas.
A family of highly acidic calcium-binding proteins found in large concentration in the brain and believed to be glial in origin. They are also found in other organs in the body. They have in common the EF-hand motif (EF HAND MOTIFS) found on a number of calcium binding proteins. The name of this family derives from the property of being soluble in a 100% saturated ammonium sulfate solution.
A calbindin protein found in many mammalian tissues, including the UTERUS, PLACENTA, BONE, PITUITARY GLAND, and KIDNEYS. In intestinal ENTEROCYTES it mediates intracellular calcium transport from apical to basolateral membranes via calcium binding at two EF-HAND MOTIFS. Expression is regulated in some tissues by VITAMIN D.
A calcium-binding protein that is 92 AA long, contains 2 EF-hand domains, and is concentrated mainly in GLIAL CELLS. Elevation of S100B levels in brain tissue correlates with a role in neurological disorders.
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Commercial and academic collaborations are used throughout the biotechnology and pharmaceutical sector to enhance research and product development. Collaborations can take the form of research and evaluation agreements, licensing, partnerships etc. ...