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Although the SusD scaffold is structurally well conserved, the binding pockets for saccharide ligands exhibit a larger degree of plasticity [ 34, 35].
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Interestingly, we found that the co-binding peptide provided ~ 2 kcal/mol of stabilization as shown by their respective Docking Score (DS) and also proceeded to conserve the binding mode orientation of abacavir [44].
Although the proline-rich region is not always conserved, the SH3 binding domain is conserved in the dsh-1 orthologs of all taxa, but is absent in nematode mig-5 orthologs.
However, the seventh binding site, notated in Figure 4 as bs2, is poorly conserved and the binding site peak probabilities do not exceed 50%.
This was attributed to the reduced level of cross-linking, which is required to conserve the imprinted binding cavities during polymerization.
However, while the C. elegans sequences conserve the heme-binding histidine residue, they lack two critical cysteine residues required for NO activation in mammalian sGC β-subunits [ 28].
With the p-value cutoff of 0.01, we calculated the proportion of the significantly conserved binding sites among the over-represented putative binding sites.
This is consistent with the finding that the c subunit of the F1FO ATP synthase does not have the conserved Na+ binding motif.
FTO and ALKBH5 belong to the AlkB family owing to the conserved iron binding motif and α-ketoglutarate interaction domain [51 54].
For miR-181a/b, the minimum free energy value of the hybrid between miR-181b and the conserved binding site on the PDCD4 3′-UTR is -17.4 kcal/mol and is lower than that of miR-181a (−16.2 kcal/mol), suggesting that miR-181b may bind more tightly to PDCD4 3′-UTR than miR-181a.
These inactive states comprise the DFG-out state, in which the conserved phosphate binding motif "DFG" changes conformation opening a large allosteric binding pocket.
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