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. 2022 Jun 27;12:10846. doi: 10.1038/s41598-022-14260-4

Table 2.

Enzymes of the model.

Enzyme no EC number Short name Accepted name Rhea Acc. no Reaction patterna
1 EC 2.4.1.38 β4GalT β-N-acetylglucosaminylglycopeptide β-1,4-galactosyltransferase 22,932 UDP-L + *[Y* = UDP + *[Lb4Y*
2 EC 2.4.1.65 α4FucT 3-galactosyl-N-acetylglucosaminide 4-α-l-fucosyltransferase

23,628

62,888

GDP-f + *[Lb3Y* = GDP + *[Lb3[fa4]Y*

GDP-f + [L4G] = GDP + [L4[f3]G]
3

EC 2.4.1.69

EC 2.4.1.344

 α2FucT galactoside 2-α-l-fucosyltransferase (type 1 & type 2)

50,664

50,668

GDP-f + *[Lb3Y* = GDP + *[[fa2]Lb3Y*

GDP-f + *[Lb4Y* = GDP + *[[fa2]Lb4Y* (also acting on lactose)
4 EC 2.4.1.149 β3GnT (iGnT) N-acetyllactosaminide β-1,3-N-acetylglucosaminyltransferase 14,389 UDP-Y + *[Lb4Y* = UDP + *[Yb3Lb4Y* (also acting on lactose)
5 EC 2.4.1.152 α3FucT 4-galactosyl-N-acetylglucosaminide 3-α-l-fucosyltransferase 14,257 GDP-f + *[Lb4Y* = GDP + *[Lb4[fa3]Y*
6 EC 2.4.1.86 β3GalT N-acetyl-β-d-glucosaminide β-1,3-galactosyltransferase 53,432 UDP-L + *[Y3* = UDP + *[Lb3Y3*
7 EC 2.4.3.1 ST6Gal β-galactoside α-2,6-sialyltransferase 52,104 CMP-S + *[Lb4Y* = CMP + *[Sa6Lb4Y* (also acting on lactose)
8 EC 2.4.3.6 ST3Gal N-acetyllactosaminide α-2,3-sialyltransferase 52,317 CMP-S + *[Lb4Y* = CMP + *[Sa3Lb4Y* (can also act on type-1 acceptors)
9 EC 2.4.3.10 ST6GlcNAc N-acetylglucoseaminide α-(2,6)-sialyltransferase -

CMP-S + [Sa3Lb3Yb* = CMP + [Sa3Lb3[Sa6]Yb*

(also acting on [Lb3Yb*)
10 EC 2.4.1.150 cIGnT N-acetyllactosaminide β-1,6-N-acetylglucosaminyltransferase 54,821

UDP-Y + *[Lb4Yb3L* = UDP + *[[Yb6][Lb4Yb3]L*

(inactive toward 3-FL substrates)
11 EC 2.4.1.386 dIGnT GlcNAcβ1,3Gal β-1,6-N-acetylglucosaminyltransferase (distally acting) -

UDP-Y + *[Yb3L* = UDP + *[[Yb6][Yb3]L*

(inactive toward 3-FL substrates)

Proposed enzymes of HMO biosynthesis and the corresponding reaction definition in Rhea59 (accession number) as well as Glycologue reaction patterns.

aAsterisks act as a wildcard character, to denote an unspecified portion of the oligosaccharide. Symbols and abbreviations used in reaction patterns are those of Table 1, with the following additions: UDP, uridine 5′-diphosphate; GDP, guanosine.

5′-diphosphate; CMP, cytidine 5′-phosphate; CMP-S, CMP-N-acetyl-β-neuraminate; GDP-f , GDP-α-l-fucose; UDP-L, UDP-α-d-galactose; UDP-Y, UDP-N-acetyl-β-d-glucosamine.