Dehydron cluster

Figure 5.2 shows the thermal average, < T>, of the average number of hydrogen bond partnerships involving water molecules within the desolvation domain for each residue. Three dehydration hot spots are apparent, comprising residues 171-181, 236-246, and 270-289, respectively. The location of these hot spots corresponds to the three major dehydron clusters shown in Fig. 5.3. 

A curated PDB-derived database was constructed free of redundancy for singledomain proteins with contour length N > 50. The database is comprised of 2,982 entries with <50% pairwise identity in aligned sequences. Proteins were grouped according to n, the size of the dehydron cluster in the structure. The groups intersect... 

A mechanism for the oxidation of carbon monoxide at cluster C has been proposed [139] in it CO and water bind to the cluster (Figure 6a). By analogy with cyanide binding, water is proposed to bind to the high-spin Ni(II) and CO to an iron atom of the cluster. After dehydronation of the water molecule the resulting hydroxide attacks the CO to form -COOH. Dehydronation of this spe-... 

In this chapter we identify functional indicators of PDB-reported soluble proteins with clusters of dehydrons. Such regions, rich in structural vulnerabilities, may be characterized as belonging to a twilight zone between order and native disorder [4], This characterization is already suggested by a strong correlation between wrapping of intramolecular hydrogen bonds (p) and propensity for structural disorder (/d), as shown in Fig. 5.1. The correlation reveals that the inability to exclude... 

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