By Steve Scheiner (eds.)
Computational equipment, and specifically quantum chemistry, have taken the lead in our turning out to be realizing of noncovalent forces, in addition to of their categorization. This quantity describes the present state-of-the-art when it comes to what we now comprehend, and the present questions requiring solutions sooner or later. issues diversity from very robust (ionic) to very susceptible (CH--π) interactions. within the intermediate regime, forces to be thought of are H-bonds, quite CH--O and OH--metal, halogen, chalcogen, pnicogen and tetrel bonds, fragrant stacking, dihydrogen bonds, and people regarding radicals. functions contain drug improvement and predictions of crystal structure.
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B Left Panel: Selected sterically allowed backbone H-bond patterns. Right panel: Local H-bonding patterns of the side-chain of methionine (N–H· · · S H-bond), or phenylalanine (N–H· · · π H-bond). The H-bond patterns are labelled Cn , according to the “n” number of atoms present in the ring formed by the H-bond and compare them with other type H-bonds existing in the same system. As shown in Fig. 11b, the sulfur atom of methionine can either form an intra residue five membered (C5 ) N–H· · · S H-bond with its own residue or inter six membered (C6 ) and ten membered (C10 ) N–H· · · S H-bonds with “i” and “i + 1” residues, respectively.
S. Biswal et al. Met- 1 Met- 233 His- 43 Met- 149 Trp- 223 Bacteriochlorophyll ( PDB: 1bcl) Tyr-617 Human thioredoxins ( PDB: 1erv) Galactose oxidase (PDB: 1gof) Fig. 2 N–H· · · S Hydrogen Bonding The sulfur atom of methionine also forms H-bonds with the N–H donor groups. 8 displays some of the cases where methionine sulfur is involved in Hbonding with side chain N–H of tryptophan and histidine and backbone amide N–H. One of the exhaustive analysis of N–H· · · S H-bond was reported by Wategaonkar and co workers [135].
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