• Conformational changes are important for: ABC transporters catalysis cellular locomotion and motor proteins formation of protein complexes ion channels mechanoreceptors and mechanotransduction regulatory activity transport of metabolites across cell membranes Database of protein conformational diversity Protein dynamics The Database of Macromolecular Motions (molmovdb) Frauenfelder, H. New looks at protein motions Nature 338, 623 - 624 (20 April 1989). (wikipedia.org)
  • We probe the open conformation of human Hsp90α for druggable sites that overlap with these allosteric control elements, and identify three putative natural compound allosteric modulators: Cephalostatin 17, 20(29)-Lupene-3β-isoferulate and 3′-Bromorubrolide F. We assess the allosteric potential of these ligands by examining their effect on the conformational dynamics of the protein. (nature.com)
  • A group of integrins is known to perform a large-scale structural change when the protein is activated, but the activation mechanism and generality of the conformational change remain to be elucidated. (elsevierpure.com)
  • We applied time-independent component analysis (tICA) and protein connectivity network model, on all-atom molecular dynamics trajectories, to identify key non-RBD residues, playing crucial role in the conformational transition facilitating spike-receptor binding and infection of human cell. (biorxiv.org)
  • The objective of this study was to determine the potential of a normal host cellular prion protein (PrPC). (cdc.gov)
  • The protein can exist in multiple isoforms , the normal PrP C , and as Protease resistant PrP Res like the disease-causing PrP Sc(scrapie) and an isoform located in mitochondria . (wikidoc.org)
  • The mechanism for conformational conversion to the scrapie isoform is speculated to be an elusive ligand -protein, but, so far, no such compound has been identified. (wikidoc.org)
  • We provide structural and biophysical evidence that phosphorylation of EF-Tu at T382 acts as an efficient switch that turns off protein synthesis by decoupling nucleotide binding from the EF-Tu conformational cycle. (whiterose.ac.uk)
  • We performed normal-mode analysis and observed significant changes in protein flexibility upon allosteric-ligand binding in 70% of the cases. (biomedcentral.com)
  • We introduce a simple computational approach to predict the presence and position of allosteric sites in a protein based on the analysis of changes in protein normal modes upon the binding of a coarse-grained ligand at predicted cavities. (biomedcentral.com)
  • 2.There is a known phenomenon, called "induced fit", whereby a target protein undergoes conformational changes upon ligand binding. (cecam.org)
  • The mouse jumonji protein is required for neural tube formation, and is essential for normal heart development. (embl.de)
  • [ 6 ] Heme insertion induces conformational changes in the protein yielding pro-MPO, an enzymatically active precursor. (medscape.com)
  • Prion diseases result from misfolding of a normal cell-surface brain protein called cellular prion protein (PrP C ), whose exact function is unknown. (msdmanuals.com)
  • Cyclophilins are intracellular proteins with the capacity to catalyse the cis/trans isomerization of the peptide bonds at the proline residues facilitating protein folding and conformational changes affecting the function of the targeted proteins. (lu.se)
  • Juers and Matthews (9) showed that the area involved in macromolecules are usually determined after rapid cooling to protein-protein crystal contacts typically increases by 50% on cryogenic temperatures, some 150 -200 K below the normal phys- cooling to cryogenic temperature. (lu.se)
  • Water occupying wide ( 50 Å) biomolecules some 200 K below their normal physiological channels in protein crystals behaves like bulk water, transform- temperature range. (lu.se)
  • A specific nonlinear optical technique called second-harmonic generation (SHG) has been recently applied to the study of conformational change in proteins. (wikipedia.org)
  • citation needed] "Nanoantennas" made out of DNA - a novel type of nano-scale optical antenna - can be attached to proteins and produce a signal via fluorescence for their distinct conformational changes. (wikipedia.org)
  • Direct modifications of the EF-Tu switch I region or modifications in other regions stabilizing the β-hairpin state of switch I result in an effective allosteric trap that restricts the normal dynamics of EF-Tu and enables the evasion of the control exerted by nucleotides on G proteins. (whiterose.ac.uk)
  • Induced fit phenomenon occurs also when two proteins associate, i.e. both of them undergo conformational changes, so that the structure of the complex is not equivalent to rigid composition of two proteins. (cecam.org)
  • Upon binding, proteins and small-molecule ligands can undergo significant conformational changes, as schematized by the "induced fit" and "conformational selection" paradigms [1]. (cecam.org)
  • The coupling between the protonation and conformational equilibria suggests a mechanism for efficient pH-sensing and regulation in proteins. (nyu.edu)
  • We find evidence for the selective allosteric activation and inhibition of Hsp90's conformational transition toward the closed state in response to ligand binding and shed valuable insight to further the understanding of allosteric drug design and Hsp90's complex allosteric mechanism of action. (nature.com)
  • [13] Ligand binding causes a conformational change with unknown effect. (wikidoc.org)
  • Zinc-binding motifs are stable structures, and they rarely undergo conformational changes upon binding their target. (embl.de)
  • During apoptosis, Bax undergoes a conformational change involving NH 2 -terminal exposure and translocates to mitochondria to release apoptogenic factors. (rupress.org)
  • Rather, our data suggests that upon protonation of His57, Ser195 undergoes a conformational change that destabilizes the His57-Ser195 hydrogen bond, preventing the back-reaction. (rcsb.org)
  • In this study, we show that eEF1Bγ from the basidiomycete Phanerochaete chrysosporium is fully active as a glutathione transferase in vitro and undergoes conformational changes upon binding of oxidized glutathione. (bvsalud.org)
  • Methods: In our study enzyme amplification (PCR) of the 10 target exons of the said gene with simultaneous mutation detection in them by PCR-SSCP (Polymerase chain reaction-single strand conformational polymorphism) reaction analysis method was attempted by screening of exon 1 - 10 with respect to normal healthy controls without Diabetes Mellitus. (scirp.org)
  • Single-strand conformational polymorphism analysis of a PCR-generated fragment from the 5' flanking region of the IL-6 gene (-550 to +61) indicated the existence of polymorphisms. (ucl.ac.uk)
  • Self-replicating: PrP Sc induces conformational transformation of PrP C , creating duplicate PrP Sc , which, in a chain reaction, induces further transformation of PrP C into PrP Sc . (msdmanuals.com)
  • We performed normal-mode analysis of the elastic network model on integrin α V β 3 ectodomain in the bent form and identified key residues that influenced molecular motions. (elsevierpure.com)
  • Iterative normal-mode calculations demonstrated that the specific nonbonded interactions involving the key residues work as a snap to keep integrin in the bent form. (elsevierpure.com)
  • The importance of the key residues for the conformational change was further verified by mutation experiments, in which integrin α IIb β 3 was used. (elsevierpure.com)
  • Dual-polarization interferometry is a benchtop technique capable of providing information about conformational changes in biomolecules. (wikipedia.org)
  • We are using rigidity analysis for investigating large biomolecules such as the ribosome, analyzing the structural determinants of thermostability, approximating the change of vibrational entropy upon binding of biomolecules, understanding allosteric transmission in biomolecules, and sampling of biomolecular conformational spaces. (uni-duesseldorf.de)
  • each possible shape is called a conformation, and a transition between them is called a conformational change. (wikipedia.org)
  • Only 24 of these foals received medical, orthopedic or surgical treatment for conformational abnormalities, as most faulty conformation abnormalities self-corrected or improved without intervention. (americanfarriers.com)
  • In agreement with prior reports, the nucleation rate was found to correlate well with first-normal stress difference, the second invariant of the deviatoric conformation tensor, and the stretch ratio, albeit with some differences from the existing models. (aip.org)
  • Given the relationship between form (conformation) and function (performance), it is definitely helpful for the dressage rider to develop an eye for conformational features that affect a horse's potential for dressage. (equisearch.com)
  • The purpose of this article is to describe key features of the anatomy and conformation of the hindquarters with the goal of helping readers to evaluate important conformational features in this area. (equisearch.com)
  • Circular dichroism shows that normal PrP C has 43% alpha helical and 3% beta sheet content, whereas PrP Sc is only 30% alpha helix and 43% beta sheet. (wikidoc.org)
  • Normal Htt shows a common alpha-helical structure but conformational changes in the form with beta strands are the principal cause of Huntington's disease. (benthamscience.com)
  • These are examples of the diversity seen among normal horses. (equisearch.com)
  • Based on enzymatic studies, that is galactosylation and its inhibition, conformational analysis and molecular modeling using the crystal structure, we propose that the binding pocket of beta 4GalT7 is very narrow, with a precise set of important hydrogen bonds. (lu.se)
  • This conservation pattern suggests that the molecular mechanism of the conformational change relying on the interactions found in integrin α V β 3 is unique to the limited types of integrins. (elsevierpure.com)
  • These results highlight stabilization of a phosphorylation-induced conformational trap as an essential mechanism for phosphoregulation of bacterial translation and metabolism. (whiterose.ac.uk)
  • Two conformational isoforms exist, the normal cellular isoform (PrP C ) and the infectious, scrapie isoform (PrP SC ). (biolegend.com)
  • Conformational abnormalities were graded from mild to severe, and conditions recorded included angular, flexural and rotational deformities. (americanfarriers.com)
  • Normal mode analysis with elastic network models, such as the Gaussian network model, can be used to probe molecular dynamics trajectories as well as known structures. (wikipedia.org)
  • Furthermore, despite a number of simulations appearing in the literature, the detailed dynamics at atomistic level of the association/dissociation process and its thermodynamic and kinetic quantification remains still unclear: besides direct electrostatics and dispersion forces, what is the contribution of water-mediated interactions and conformational changes? (cecam.org)
  • In most docking schemes, first an ensemble of conformations which may be relevant for docking is obtained, e.g. from experimentally solved multiple conformers, from molecular dynamics snapshots, from normal modes analysis, essential dynamics, or rigidity theory. (cecam.org)
  • The GL-induced conformational change of Bax and apoptosis were significantly suppressed by genetic suppression of JNK activation. (aspetjournals.org)
  • We show that the interpretation of the experimental pK a values requires the study of not only protonation changes but also conformational changes. (nyu.edu)
  • The conformational analysis was performed utilizing FT-IR matrix isolation technique and theoretical methods such as density functional theory and ab initio calculations. (researchgate.net)
  • During the conformational analysis the envelope (E) and twisted (T) ring shapes with the position of the fluorine atom and chloromethyl group in terms of axial/equatorial and cis/trans/gauche-/gauche+ positions were investigated utilizing MP2/aug-cc-pVTZ and DFT/B3LYP/aug-cc-pVTZ level of theory. (researchgate.net)
  • In biochemistry, a conformational change is a change in the shape of a macromolecule, often induced by environmental factors. (wikipedia.org)
  • Many biophysical techniques such as crystallography, NMR, electron paramagnetic resonance (EPR) using spin label techniques, circular dichroism (CD), hydrogen exchange, and FRET can be used to study macromolecular conformational change. (wikipedia.org)
  • The process is initiated by a down to up conformational change in the spike presenting the RBD to the receptor. (biorxiv.org)
  • NMR shows copper binding results in a conformational change at the N-terminus . (wikidoc.org)
  • Here you can request additional normal mode computations, or change the amplitude range (DQMIN/DQMAX) for an already existing mode. (univ-nantes.fr)
  • An induced conformational change exposes a cleavage site (S2) for ADAM family metalloproteases that cleave Notch at an extracellular, membrane-proximal region. (mskcc.org)
  • Mutant Huntingtin is the cause of the complex neurological metabolic alteration of Huntington's disease, resulting in both the loss of all the functions of normal Huntingtin and the genesis of abnormal interactions due to the presence of this mutation. (benthamscience.com)
  • B ) Hsp90's nucleotide driven conformational cycle (Adopted from Penkler et al . (nature.com)
  • In both structures the His57-Asp102 hydrogen bond in the catalytic triad is a normal ionic hydrogen bond, and not a low-barrier hydrogen bond (LBHB) as previously hypothesized. (rcsb.org)
  • The more common qualitative type II AT deficiency is characterized by normal AT levels and reduced function and is further categorized into IIa, b, or c, depending on which part of the AT molecule is affected by the mutation. (medscape.com)
  • C. Bottari , I. Mancini , A. Mele , A. Gessini , C. Masciovecchio , and B. Rossi "Conformational stability of DNA in hydrated ionic liquid by synchrotron-based UV resonance raman", Proc. (spiedigitallibrary.org)
  • Patients with mild liver disease (Child-Pugh-Turcotte (CPT), Class A) may be treated with the normal recommended dose of [HA562 trade name] (see sections 4.3, 4.4 and 5.2). (who.int)
  • The authors concluded that moderate angular limb deformities may almost be considered normal physiological variations rather than a disease in young horses. (americanfarriers.com)
  • Clinical studies of subjects with the different forms of MODY indicate that each is associated with a different defect in the normal pattern of glucose stimulated insulin secretion. (scirp.org)
  • French Bulldogs and other flat faced dogs like Pugs and Pekinese, suffer from an extreme conformational defect called brachycephaly. (thehappypuppysite.com)
  • Prions cause neurodegenerative disease by aggregating extracellularly within the central nervous system which disrupt the normal tissue structure. (biolegend.com)
  • The external contours of the croup are easy to see, but they give little information about the underlying pelvic structure, which is more relevant in our conformational evaluation. (equisearch.com)
  • Both the structure of the PGs and the GAG chains, and the expression of the enzymes involved in their biosynthesis and degradation, vary between normal cells and tumor cells. (lu.se)
  • Heterozygous null mutations in each autism gene are demonstrated to have normal baseline neurotransmission and PHP. (sdbonline.org)
  • ATP hydrolysis and the subsequent release of ADP from the NTD initiate a conformational return to the native apo open state and client release. (nature.com)
  • Overall, foals had some conformational deviations during the study, but the prevalence decreased from birth to weaning. (americanfarriers.com)
  • PrP Sc is a conformational isoform of PrP C , but this orientation tends to accumulate in compact, protease -resistant aggregates within neural tissue. (wikidoc.org)
  • Normal PrP C is water soluble and protease sensitive, but a large percentage of PrP Sc is water insoluble and markedly resistant to protease degradation (similar to beta-amyloid in Alzheimer disease, which PrP Sc resembles), resulting in slow but inexorable cellular accumulation and neuronal cell death. (msdmanuals.com)
  • It is interesting to note that a representative normal prostate epithelial cell line (PrEC) was relatively more resistant to GL-mediated cellular responses compared with prostate cancer cells. (aspetjournals.org)
  • We could also confirm the safety in normal cells and good oral bioavailability. (lu.se)
  • The nanotube bundles are similar to the potential of nanotubes to induce genetic damage size of microtubules that form the mitotic spindle in normal lung cells, cultured primary and immor- and may be incorporated into the mitotic spindle talized human airway epithelial cells were apparatus. (cdc.gov)
  • Functional assays that assess inhibitory activity on Xa have a higher sensitivity than those assessing thrombin, and some patients with type II AT deficiency have only slightly reduced or even normal function, thus increasing the complexity of its diagnosis. (medscape.com)
  • Here you can request models that are perturbed in the direction of two normal modes at the same time. (univ-nantes.fr)
  • New models based on conformational invariants for Kuhn segments are proposed and shown to describe the simulation data more accurately than those based on conformational behavior of entire chains. (aip.org)
  • Muscle strength is normal between attacks but, after a few years, some degree of fixed weakness develops in certain types of PP (especially primary PP). All forms of primary PP (except Becker myotonia congenita [MC]) are either autosomal dominant inherited or sporadic (most likely arising from point mutations). (medscape.com)
  • Ion channel dysfunction is usually well compensated with normal excitation, and additional triggers are often necessary to produce muscle inexcitability owing to sustained membrane depolarization. (medscape.com)
  • The similar problem is faced when resolving conformational ensembles from small angle scattering data. (lu.se)