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Table 2 Distance between the residue mutated in XylE to xylose (DtX) in Angstrom (Å) and the binding energies (kcal/mol) of Cs4130, Gxf1, XylE and variants complexed to xylose through molecular docking analysis

From: Novel xylose transporter Cs4130 expands the sugar uptake repertoire in recombinant Saccharomyces cerevisiae strains at high xylose concentrations

  XylE Cs4130 Gxf1 DtX (Å)
Residue (kcal/mol)
Wild-type − 27.4 − 28.8 − 26.0
Mut1 F24A (− 27.6/0.2) F58A (− 27.8/1.0) F58A (24.9/1.1) 3.9
  G83A G120A G120A 22.0
  R133C R153C R153C 11.7
  E153A E173A E173A 17.8
  R160A R180A R180A 14.3
Mut 2 Q168A (− 28.3/0.9) Q188A (− 26.4/2.4) Q188A (− 25.5/0.5) 2.3
Mut 3 Q288A (− 26.4/1.0) Q314A (− 28.1/0.7) Q314A (− 24.9/1.1) 2.9
Mut 4 Q289A (− 26.6/0.8) Q315A (− 28.5/0.3) Q315A (− 26.1/0.1) 3.0
Mut 5 N294A (− 28.1/0.7) N320A (− 28.2/0.6) N320A (− 25.2/0.8) 2.9
Mut 6 Y298A (− 26.4/1.0) Y324A (− 28.1/0.7) Y324A (− 25.8/0.2) 4.3
Mut 7 N325A (− 27.4/0) N349A (− 26.9/1.9) N349A (− 25.7/0.3) 6.7
  G340A G364A G364A 15.8
  R341A R365A R365A 14.3
Mut 8 W392A (− 26.6/0.8) Y428A (− 27.9/0.9) Y431A (− 25.6/0.7) 3.1
  E397A E433A E436A 14.2
  R404A K440A R443A 16.1
Mut 9 Q415A (− 26.8/0.6) N451A (− 28.0/0.8) N454A (− 26.6/0.6) 2.7
Mut 10 W416A (26.5/0.9) W452A (− 28.5/0.3) W455A (− 25.4/0.6) 4.8
  1. Residues close and far from ligand (xylose) are highlighted in italics and underlined, respectively
  2. The energy of binding (kcal/mol) of mutants and the difference from the wild-type are between parentheses
  3. Mut mutant