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The propanol molecule POL5001 (or simply POL) forms H-bonds with the prominent Oγ1A of ThrD27 located on the A conformation of ThrD27 which has two clearly defined conformations A and B, of which A has 0.645 occupancy and B 0.355 occupancy.
The A site for Mg2+ in our structure is more closely associated with the A conformation of E96 at a distance of 2.0 Å between the coordinating oxygen and Mg2+.
A conformation of a protein is simply a self-avoiding walk along the lattice.
A conformation of 3,5-di-O-caffeoylquinic acid with the two caffeoyl arms facing each other has been proposed in the absence of caffeine, demonstrating that the two arms can sterically come close [ 13].
A conformation of alanine dipeptide is specified by three backbone torsional angles, and the distance between two conformations is defined as the root sum squared angular differences between the corresponding torsional angles.
The conformational strain energy is defined herein as the potential energy difference between a conformation of interest and its global minimum conformation.
The structure also shows a conformation of the active site that can be exploited for the design of inhibitory compounds.
This involves a conformation of the kinase active site that is unable to support catalysis and requires activation through a signal such as binding of a regulatory protein.
The acidic non-enzymatic subunit comprises of extensive hydrophobic residues with a conformation of an anti-parallel β-sheets making it ideal for tissue specific targeting.
It has been shown that L-731988, a potent integrase inhibitor, targets a conformation of the integrase enzyme formed when complexed to viral DNA, with the 3′-end dinucleotide already cleaved.
The replacement of His164, located in the non-flexible part of the 'lid' covering the active center resulted in a conformation of the enzyme that possessed a higher catalytic activity.
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