Configuration of active site segments in lytic polysaccharide monooxygenases steers oxidative xyloglucan degradation

Sun, Peicheng; Laurent, Christophe V. F. P.; Scheiblbrandner, Stefan; Frommhagen, Matthias; Kouzounis, Dimitrios; Sanders, Mark G.; van Berkel, Willem J. H.; Ludwig, Roland; Kabel, Mirjam A.

doi:10.1186/s13068-020-01731-x

Biotechnology for Biofuels and Bioproducts

Table 3 List of C4-oxidized XG-oligosaccharides identified based on fragmentation patterns in CID-MS/MS present in the NcLPMO9M-TXG-digest

From: Configuration of active site segments in lytic polysaccharide monooxygenases steers oxidative xyloglucan degradation

9M_C4-Ox Peak Nr.	Elution time (min)	m/z ([M−H]⁻)	MS/MS fragments (m/z)^a	Annotation
1	10.7–11.7	471.2	159 (59), 293 (15), 311 (15), 353 (6), 395 (14), 453 (20)	_O=GGX
1	10.7–11.7	471.2	179 (20), 291 (2), 351 (3), 221 (3), 395 (14), 453 (20)	_O=GXG
2	17.5–18.7	765.4	291 (100), 473 (3), 543 (1), 603 (1), 747 (9)	_O=GXXG
2	17.5–18.7	765.4	291 (100), 293 (1), 353 (1), 453 (1), 455 (1), 471 (1), 473 (3), 747 (9)	_O=GXGX
3	24.1–27.9	927.3	291 (1), 353 (1), 411 (1), 453 (100), 455 (1), 473 (18), 635 (4), 747 (1), 765 (1), 867 (2), 909 (3)	_O=GXGL
3	24.1–27.9	927.3	293 (8), 353 (1), 707 (1), 767 (1), 867 (2), 909 (3)	_O=GGLX
4	27.9–32.0	927.3	293 (20), 311 (1), 413 (2), 453 (100), 473 (42), 615 (3), 747 (2), 849 (1), 867 (3), 909 (13)	_O=GLGX
	30.5–31.5	1059.4	291 (37), 293 (3), 353 (4), 455 (33), 473 (2), 707 (18), 765 (4), 767 (66), 999 (1), 1041 (100)	_O=GXXGX
	30.5–31.5	1059.4	291 (37), 293 3), 353 (4), 605 (7), 526 (3), 765 (4), 767 (66), 999 (1), 1041 (100)	_O=GXGXX
5	32.5–34.1	1089.1	453 (100), 557 (3), 635 (28), 867 (5), 927 (7), 1029 (6), 1071 (33)	_O=GLLG
	32.5–34.1	1089.1	453 (100), 473 (12), 557 (5), 635 (28), 1029 (6), 1071 (33)	_O=GLGL
	33.9–34.9	1221.5	453 (100), 455 (4), 689 (2), 767 (32), 869 (4), 929 (15), 1161 (5), 1203 (5)	_O=GXGXL
			293 (3), 689 (2), 767 (32), 869 4), 929 (15), 1161 (5), 1203 (5)	_O=GXGLX
			293 (3), 453 (100), 473 (8), 689 (2), 767 (32), 1161 (5), 1203 (5)	_O=GLXGX
6	38.1–38.9	1221.5	353 (3), 453 (100), 455 (18), 689 (7), 707 (13), 767 (56), 929 (52), 1161 (2), 1203 (92)	_O=GXGXL
	38.1–38.9	1221.5	453 (100), 473 (7), 689 (7), 707 (13), 767 (56), 1161 (2), 1203 (92)	_O=GLXGX
	38.6–39.6	1383.7	411 (2), 453 (96), 515 (2), 851 (2), 867 (2), 869 (2), 929 (100), 1013 (11), 1031 (8), 1091 (71), 1221 (10), 1305 (6), 1323 (8), 1365 (9)	_O=GXGLL
7	41.7–44.4	1383.7	453 (13), 455 (4), 635 (3), 767 (1), 851 (3), 869 (3), 929 (100), 1091 (2), 1223 (2), 1365 (17)	_O=GH₆P₃
7	41.7–44.4	1515.5	n.d.	_O=GH₆P₄

Chromatograms, including peak numbers, are shown in Fig. 5. Nomenclature (annotation) according to Fry et al. [15]
^aRelative intensities of MS/MS fragments are shown between brackets and informative MS/MS fragments are indicated in italics

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