Molecular Dynamics Study of Furanose Binding Protein

It has been demonstrated that ABC transporter periplasmic‐binding protein ytfQ can bind both ribose and galactose in the furanose form for transport. A comparison of binding for alpha and beta galactofuranose and ribofuranose has been performed using the AMBER molecular dynamics package. The histograms of the conformation of the furanose ring in terms of phase angle and puckering amplitude, rotation of the exocyclic C‐C bond and hydrogen bonding patterns were analyzed.