Biotechnology for Biofuels and Bioproducts

Table 1 Molecular docking analysis of the enzyme–substrate complex and the key amino acid residues

From: Effective biosynthesis of 2,5-furandicarboxylic acid from 5-hydroxymethylfurfural via a bi-enzymatic cascade system using bacterial laccase and fungal alcohol oxidase

Enzyme–substrate complex	Binding amino acid residues			Binding energy (kcal/mol)
Enzyme–substrate complex	Hydrogen bonds	Hydrophobic interactions	Salt bridges	Binding energy (kcal/mol)
CglAlcOx-HMFCA	Phe303, Ser304, Asp305, Pro331, Asn333, Tyr334		His362	− 6.34
CglAlcOx-FFCA	Phe303, Ser304, Asn333, Tyr334, Gly352	Glu360		− 5.52
BpLac-FFCA	Ser364, Gln427, Arg429, Arg480	Val406, Ile478	Arg362	− 4.63

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ISSN: 2731-3654

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