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Both bellflower and pinwheel models of pentameric PLN and pPLN systems underwent various conformational changes during our 40-ns MD simulations.
DNA polymerases slide on DNA during replication, and the interface must be mobile for various conformational changes.
The target binding pocket often adapts upon ligand binding to fit the ligands through various conformational changes ranging from small side-chain flip to large loop shift.
In summary, comparison of the unliganded enzyme structure with product-bound structures reveals various conformational changes that are not favored in the resting enzyme: a tightening of the active site around the hydrophilic moieties of the product, the release of Asp108 from Zn2, and a lengthening of the Zn1−Zn2 distance with a compensating bidentate interaction of Asp191 with Zn2.
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Despite the lack of crystallographic evidence of a large finger subdomain motion upon nucleotide binding, several stopped-flow fluorescence studies have provided information about various conformational change steps during nucleotide incorporation by the Y-family DNA polymerases, leading to the development of an expanded minimal kinetic pathway.
Preliminary control experiments were carried out in order to check whether reduction of DiE-GSSG by another enzyme than PDI or its cleavage by various proteases or conformational changes could interfere in the assay (see figure S1 in supplementary data).
In order to see such large conformational changes, various techniques have been used to augment MD with improved sampling methods, such as replica-exchange [4], and methods that directly induce conformational change.
The present study focuses on analyzing the conformational changes in various antibodies upon binding, providing quantitative observations to be exploited for antibody-related modeling.
Q11 forms a β-structured aggregate by intermolecular interaction of stretched monomers, whereas Q38 and Q56 undergo conformational changes to various β-structured intermediates, including intramolecular β-sheets.
Moreover, the databases are also unable to show the conformational changes of various proteins occurred at the time of pathway activation, except REACTOME, which displays the conformational changes of various proteins using SBGN notations.
This motif is involved in nucleotide binding, hydrolysis, and nucleotide-dependent inter-domain conformational changes in various AAA+ ATPases (Ogura et al., 2004).
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