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. Author manuscript; available in PMC: 2022 May 7.
Published in final edited form as: ACS Catal. 2021 Apr 13;11(9):5069–5078. doi: 10.1021/acscatal.1c00896

Table 1.

Side chain conformations of ligands bound to Leloir glycosyltransferasesa

Enzyme Function gg gt tg Eclipsed Total H-bonding to O6
α-Galactosyltransferase - 6 (5) 2 (2) - 8 (7) 8 (7)
β-Galactosyltransferase - - 8 (3) - 8 (3) 8 (3)
α-N-Acetyl Galactosaminyltransferase 1 (−) 2 (2) 5 (2) - 8 (4) 8 (4)
α-Glucosyltransferase 30 (15) 3 (3) 1 (−) 3 (1) 39 (19)b 37 (18)
β-Glucosyltransferase 10 (6) 1 (1) 1 (1) - 12 (8) 12 (8)
α-N-Acetyl Glucosaminyltransferase 4 (2) 1 (−) 1 (−) 1 (−) 7 (2) 6 (2)
β-N-Acetyl Glucosaminyltransferase 10 (6) 4 (3) - 2 (−) 16 (9) 14 (7)
α-N-Acetyl Hexosaminyltransferasec 1 (−) 1 (−) - - 2 (−) 2 (−)
α-Mannosyltransferase - - 1 (−) - 1 (−) 1 (−)
β-Mannosyltransferase 2 (2) - - - 2 (2) 2 (2)
α-Valeniolyltransferase 1 (−) 1 (1) - - 2 (1) 2 (1)
Heptosyltransferase 2 (−) - - - 2 (−) 2 (−)
α-Sialyltransferase 9 (7) - 1 (−) 1 (−) 11 (7) 7 (6)
Total 70 (38) 19 (15) 20 (8) 2 (−) 118 (62) 109 (58)
a

Data are listed at the 2.50 Å cutoff, with those for the 2.00 Å cutoff given in parentheses

b

Two structures bear ambiguous side chain conformations

c

These enzymes act on both glucosides and galactosides