Table 5.

Binding affinity, conventional hydrogen bonds, and interacting residues of Alsidium corallinum monosaccharides complexed with 1JIJ, 1HD2, and 1WL4 receptors.

Monosaccharide (Ligand)	Intermolecular Interactions
	Binding Affinity (kcal/mol)	No. H-Bond	Closest Interacting Residues (Distance, Å)	Closest Interacting Residue
TyrRS from S. aureus (1JIJ)
Glucuronic acid	−5.8	4	Lys226 (2.155), Lys226 (2.112), Gly233 (2.446), Lys234 (2.721), Lys234 (3.468)	Lys226:HZ3
Glucose	−7.0	8	Asn124 (2.835), Gln174 (2.131), Asp80 (2.449), Gln196 (2.745), Asp40 (2.216), Tyr36 (2.241), Gln190 (2.511), Asp177 (1.898)	Asp177:OD1
Galactose	−7.1	7	Tyr170 (2.845), Tyr170 (2.678), Gln196 (2.478), Asp80 (2.185), Gln196 (2.197), Asp80 (2.039), Gln196 (2.565)	Asp80:OD2
Fructose	−6.6	5	Asp80 (2.752), Gln196 (2.824), Thr75 (2.171), Tyr170 (2.402), Tyr36 (2.647)	Tyr75:OG1
Human peroxiredoxin (1HD2)
Glucuronic acid	−5.3	6	Asn21 (2.581), Asn21 (2.362), Arg86 (3.037), Arg86 (2.250), Gly92 (2.173), Leu96 (2.735), Gly82 (3.541), Glu91 (3.550)	Gly92:HN
Glucose	−5.4	4	Asn76 (2.064), Asn122 (2.303), Asp77 (2.368), Asp77 (2.432)	Asn76:HD21
Galactose	−5.1	5	Asn76 (2.077), Asp77 (2.309), Arg124 (2.861), Arg124 (2.431), Asp77 (2.579), Asp77(2.488)	Asn76:HD21
Fructose	−5.3	5	Gly17 (3.034), Gly92 (2.823), Val94 (2.584), Thr81 (2.738), Leu96 (2.998), Glu16 (3.557)	Val94:O
Acyl-CoA: cholesterol acyltransferase (ACAT, 1WL4)
Glucuronic acid	−5.2	3	Asn68 (2.254), Ser87 (2.125), Ser87 (1.771), Gly66 (3.694)	Ser87:HG
Glucose	−4.9	5	Thr36 (2.454), Asp32 (2.429), Asp32 (2.495), Asp32 (2.468), Leu206 (2.527), Ser35 (3.564), Gly76 (3.650)	Asp32:OD1
Galactose	−4.9	7	Arg223 (2.284), Arg223 (2.036), Asn227 (2.563), Asn227 (2.688), Met231 (2.864), Asn227 (2.369), Gly225 (2.553)	Arg223:HH21
Fructose	−4.9	5	Ser208 (1.870), Ser208 (2.117), Ser208 (1.880), Ser208 (3.072), Asp32 (1.916)	Ser208:HN