#METABOLOMICS WORKBENCH tlange_20230801_045110 DATATRACK_ID:4196 STUDY_ID:ST002810 ANALYSIS_ID:AN004570 PROJECT_ID:PR001757
VERSION             	1
CREATED_ON             	August 8, 2023, 4:43 pm
#PROJECT
PR:PROJECT_TITLE                 	Functional GAS2 studies
PR:PROJECT_TYPE                  	GC-MS qualitative analysis
PR:PROJECT_SUMMARY               	Liu et al. recently reported the characterization of Arabidopsis thaliana GAS2
PR:PROJECT_SUMMARY               	(Gain of Function in ABA-modulated Seed Germination 2), which was described as
PR:PROJECT_SUMMARY               	an enzyme that catalyzes the stereospecific hydration of GA12 to produce GA12
PR:PROJECT_SUMMARY               	16, 17-dihydro-16α-ol (DHGA12). A second paper describes the conversion of GA12
PR:PROJECT_SUMMARY               	to an unidentified product by GAS2 and also reports that this enzyme does not
PR:PROJECT_SUMMARY               	convert ABA. However, as previously reported, we did not find any conversion of
PR:PROJECT_SUMMARY               	[17-14C]-labeled or [1-,7-,12-,18-14C4]-labeled GA12 by GAS2. Instead, we
PR:PROJECT_SUMMARY               	present here data showing that the recombinant GAS2 enzyme is capable of
PR:PROJECT_SUMMARY               	catabolising abscisic acid (ABA) to phaseic acid (PA) and further to a second
PR:PROJECT_SUMMARY               	product, putative 8’-carboxy-ABA (compound A; Fig. 1a).
PR:INSTITUTE                     	Technische Universität Braunschweig
PR:DEPARTMENT                    	Biochemie und Physiologie der Pflanzen
PR:LABORATORY                    	AG Lange
PR:LAST_NAME                     	Lange
PR:FIRST_NAME                    	Theo
PR:ADDRESS                       	Mendelssohnstr. 4
PR:EMAIL                         	theo.lange@tu-bs.de
PR:PHONE                         	00495313915880
PR:CONTRIBUTORS                  	Nadiem Atiq, Maria João Pimenta Lange
#STUDY
ST:STUDY_TITLE                   	GAS2 encodes a 2-oxoglutarate dependent dioxygenase involved in ABA catabolism
ST:STUDY_SUMMARY                 	Liu et al. [1] recently reported the characterization of Arabidopsis thaliana
ST:STUDY_SUMMARY                 	GAS2 (Gain of Function in ABA-modulated Seed Germination 2), which was described
ST:STUDY_SUMMARY                 	as an enzyme that catalyzes the stereospecific hydration of GA12 to produce
ST:STUDY_SUMMARY                 	GA12 16, 17-dihydro-16α-ol (DHGA12). A second paper describes the conversion of
ST:STUDY_SUMMARY                 	GA12 to an unidentified product by GAS2 and also reports that this enzyme does
ST:STUDY_SUMMARY                 	not convert ABA [2]. However, as previously reported [3], we did not find any
ST:STUDY_SUMMARY                 	conversion of [17-14C]-labeled or [1-,7-,12-,18-14C4]-labeled GA12 by GAS2.
ST:STUDY_SUMMARY                 	Instead, we present here data showing that the recombinant GAS2 enzyme is
ST:STUDY_SUMMARY                 	capable of catabolising abscisic acid (ABA) to phaseic acid (PA) and further to
ST:STUDY_SUMMARY                 	a second product, putative 8’-carboxy-ABA (compound A; Fig. 1a) [4].
ST:STUDY_SUMMARY                 	References: [1] Liu, H. et al. Biosynthesis of DHGA12 and its roles in
ST:STUDY_SUMMARY                 	Arabidopsis seedling establishment. Nat. Commun. 10, 1768 (2019). [2] Xiong, W.
ST:STUDY_SUMMARY                 	et al. The dioxygenase GIM2 functions in seed germination by altering
ST:STUDY_SUMMARY                 	gibberellin production in Arabidopsis. J. Integr. Plant Biol. 60, 276-291
ST:STUDY_SUMMARY                 	(2018). [3] Lange, T. & Pimenta Lange, M. J. The Multifunctional Dioxygenases of
ST:STUDY_SUMMARY                 	Gibberellin Synthesis. Plant Cell Physiol. 61, 1869-1879 (2020). [4] Lange, T.,
ST:STUDY_SUMMARY                 	Atiq, N., Pimenta Lange. GAS2 encodes a 2-oxoglutarate dependent dioxygenase
ST:STUDY_SUMMARY                 	involved in ABA catabolism. bioRxiv, doi: 10.1101/2022.11.16.516706 (2022).
ST:INSTITUTE                     	Technische Universität Braunschweig
ST:DEPARTMENT                    	Biochemie und Physiology der Pflanzen
ST:LABORATORY                    	AG Lange
ST:LAST_NAME                     	Lange
ST:FIRST_NAME                    	Theo
ST:ADDRESS                       	Mendelssohnstr. 4
ST:EMAIL                         	theo.lange@tu-bs.de
ST:PHONE                         	00495313915880
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Arabidopsis thaliana
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	266_01	Treatment:DHGA12	Genotype=Standard; RAW_FILE_NAME=266_01.raw
SUBJECT_SAMPLE_FACTORS           	-	403_02	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=403_02.raw
SUBJECT_SAMPLE_FACTORS           	-	479_01	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=479_01.raw
SUBJECT_SAMPLE_FACTORS           	-	480_02	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=480_02.raw
SUBJECT_SAMPLE_FACTORS           	-	481_03	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=481_03.raw
SUBJECT_SAMPLE_FACTORS           	-	482_04	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=482_04.raw
SUBJECT_SAMPLE_FACTORS           	-	485_05	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=485_05.raw
SUBJECT_SAMPLE_FACTORS           	-	486_06	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=486_06.raw
SUBJECT_SAMPLE_FACTORS           	-	538_01	Treatment:PA	Genotype=Standard; RAW_FILE_NAME=538_01.raw
SUBJECT_SAMPLE_FACTORS           	-	539_06	Treatment:d3-PA	Genotype=Standard; RAW_FILE_NAME=539_06.raw
SUBJECT_SAMPLE_FACTORS           	-	542_07	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=542_07.raw
SUBJECT_SAMPLE_FACTORS           	-	543_08	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=543_08.raw
SUBJECT_SAMPLE_FACTORS           	-	550_09	Treatment:20ox1	Genotype=Wild-type; RAW_FILE_NAME=550_09.raw
SUBJECT_SAMPLE_FACTORS           	-	551_10	Treatment:20ox1	Genotype=Wild-type; RAW_FILE_NAME=551_10.raw
SUBJECT_SAMPLE_FACTORS           	-	552_11	Treatment:20ox1	Genotype=Wild-type; RAW_FILE_NAME=552_11.raw
SUBJECT_SAMPLE_FACTORS           	-	556_02	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=556_02.raw
SUBJECT_SAMPLE_FACTORS           	-	558_07	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=558_07.raw
SUBJECT_SAMPLE_FACTORS           	-	559_03	Treatment:ABA	Genotype=Standard; RAW_FILE_NAME=559_03.raw
SUBJECT_SAMPLE_FACTORS           	-	583_04	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=583_04.raw
SUBJECT_SAMPLE_FACTORS           	-	585_05	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=585_05.raw
SUBJECT_SAMPLE_FACTORS           	-	691_02	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=691_02.raw
SUBJECT_SAMPLE_FACTORS           	-	746_03	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=746_03.raw
SUBJECT_SAMPLE_FACTORS           	-	747_04	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=747_04.raw
SUBJECT_SAMPLE_FACTORS           	-	748_05	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=748_05.raw
SUBJECT_SAMPLE_FACTORS           	-	868_08	Treatment:d6-ABA	Genotype=Standard; RAW_FILE_NAME=868_08.raw
SUBJECT_SAMPLE_FACTORS           	-	907_09	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=907_09.raw
SUBJECT_SAMPLE_FACTORS           	-	920_10	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=920_10.raw
SUBJECT_SAMPLE_FACTORS           	-	967_01	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=967_01.raw
SUBJECT_SAMPLE_FACTORS           	-	969_02	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=969_02.raw
SUBJECT_SAMPLE_FACTORS           	-	970_03	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=970_03.raw
SUBJECT_SAMPLE_FACTORS           	-	972_04	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=972_04.raw
SUBJECT_SAMPLE_FACTORS           	-	974_05	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=974_05.raw
SUBJECT_SAMPLE_FACTORS           	-	975_06	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=975_06.raw
SUBJECT_SAMPLE_FACTORS           	-	976_07	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=976_07.raw
SUBJECT_SAMPLE_FACTORS           	-	990_02	Treatment:GAS2	Genotype=Wild-type; RAW_FILE_NAME=990_02.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Recombinant GAS2 and AtGA20ox1 were produced as previously described [5,6]. [5]
CO:COLLECTION_SUMMARY            	Pimenta Lange, M. J. et al. Functional characterization of gibberellin oxidases
CO:COLLECTION_SUMMARY            	from cucumber, Cucumis sativus L. Phytochemistry 90, 62-69 (2013). [6] Pimenta
CO:COLLECTION_SUMMARY            	Lange, M. J. et al. Cucumber gibberellin 1-oxidase/desaturase initiates novel
CO:COLLECTION_SUMMARY            	gibberellin catabolic pathways. J. Biol. Chem. 295, 8442-8448 (2020).
CO:SAMPLE_TYPE                   	Bacterial cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Recombinant GAS2 and AtGA20ox1 were produced as previously described [5,6]. [5]
TR:TREATMENT_SUMMARY             	Pimenta Lange, M. J. et al. Functional characterization of gibberellin oxidases
TR:TREATMENT_SUMMARY             	from cucumber, Cucumis sativus L. Phytochemistry 90, 62-69 (2013). [6] Pimenta
TR:TREATMENT_SUMMARY             	Lange, M. J. et al. Cucumber gibberellin 1-oxidase/desaturase initiates novel
TR:TREATMENT_SUMMARY             	gibberellin catabolic pathways. J. Biol. Chem. 295, 8442-8448 (2020).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	3’,5’,5’,7’,7’,7’-d6-labelled ABA and 17,17-d2-labelled GA12 were
SP:SAMPLEPREP_SUMMARY            	purchased from OlChemIm, Czech Republic. PA and 7’,7’,7’-d3-PA were gifts
SP:SAMPLEPREP_SUMMARY            	from Professor Eiji Nambara (University of Toronto, Canada). Preparations of E.
SP:SAMPLEPREP_SUMMARY            	coli cell lysates were incubated in a total volume of 100 µl containing 100 mM
SP:SAMPLEPREP_SUMMARY            	Tris-HCl, pH 7.0 at 30°C for 16 h with 2-oxoglutarate and ascorbate (100mM
SP:SAMPLEPREP_SUMMARY            	each, final concentrations), FeSO4 (0.5 mM), catalase (1mg/ml), and the
SP:SAMPLEPREP_SUMMARY            	substrates (5 µl in methanol for ABA, 3’,5’,5’,7’,7’,7’-d6-labeled
SP:SAMPLEPREP_SUMMARY            	ABA (500 ng), PA (500 ng), and 7’,7’,7’-d3-labeled PA (50 ng), and 2 µl
SP:SAMPLEPREP_SUMMARY            	in methanol per 5 ng 17,17-d2-labelled GA12. Variations to the standard
SP:SAMPLEPREP_SUMMARY            	incubation conditions are indicated in the individual experiments. Incubation
SP:SAMPLEPREP_SUMMARY            	products were extracted and analyzed by reverse-phase HPLC as described
SP:SAMPLEPREP_SUMMARY            	previously12 using gradients of increasing methanol in water, containing 1%
SP:SAMPLEPREP_SUMMARY            	acetic acid, at 1 ml.min-1 as follows: 50% methanol, followed by five 0.5-min
SP:SAMPLEPREP_SUMMARY            	steps to 57.4%, 60.6%, 61.8%, 62.3%, 62.5%, one 5-min step to 62.7%, one 1-min
SP:SAMPLEPREP_SUMMARY            	step to 63.2% and seven 2-min steps to 64.3%, 67.2%, 70.5%, 74.9%, 81%, 89% and
SP:SAMPLEPREP_SUMMARY            	100% methanol. PA and compound A eluted between 3 and 6 min, and ABA between 6
SP:SAMPLEPREP_SUMMARY            	and 9 min. The dried HPLC-fractions were redissolved in 100 µl methanol and
SP:SAMPLEPREP_SUMMARY            	methylated with 100 µl ethereal diazomethane.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Thermo Scientific Trace 1300
CH:COLUMN_NAME                   	Agilent DB5-MS (30m x 0.25mm, 0.25um)
CH:SOLVENT_A                     	Helium
CH:SOLVENT_B                     	Helium
CH:FLOW_GRADIENT                 	60-280
CH:FLOW_RATE                     	1.2 ml/min
CH:COLUMN_TEMPERATURE            	60-280
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ThermoScientific ISQ7000
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	ThermoScientific ISQ7000 with Advanced Electron Ionization (AEI) source. Software used was Chromeleon 7.2.10
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	266_01	403_02	479_01	480_02	481_03	482_04	485_05	486_06	538_01	539_06	542_07	543_08	550_09	551_10	552_11	556_02	558_07	559_03	583_04	585_05	691_02	746_03	747_04	748_05	868_08	907_09	920_10	967_01	969_02	970_03	972_04	974_05	975_06	976_07	990_02
Factors	Treatment:DHGA12	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:PA	Treatment:d3-PA	Treatment:GAS2	Treatment:GAS2	Treatment:20ox1	Treatment:20ox1	Treatment:20ox1	Treatment:GAS2	Treatment:GAS2	Treatment:ABA	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:d6-ABA	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2	Treatment:GAS2
Abscisic acid (ABA)																		393009			8095803														
3',5',5',7',7',7'-d6-ABA						3400698		50431663						34785395											53959422				3553267	86045238					
Phaseic acid (PA)									38044587										4741346		4809508														
7',7',7''-d3-PA				14376696	18385753		4191184			1877480																	57568775								
Compound A																24375974			877561	18610937	3207229														
3',5',5',7',7',7'-d6-Compound A				1170504							9209255															53959908		1930882	16332480		4422398				
7',7',7''-d3-compound A																	449336																		
17,17-d2-GA12	16988102																					283071	761845	767473								1377490	1664488	2985792	
GA12																						25549	46996	59468											
17,17-d2-DHGA12	7875399																					44566	109720	113535											
17-14C-DHGA12		127886867																																	
17-14C-GA9															10797510																				
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Kovats retention indices	Retention time	Base peak
Abscisic acid (ABA)	2086	13.16	190
3',5',5',7',7',7'-d6-ABA	2083	13.15	194
Phaseic acid (PA)	2146	14.21	125
7',7',7''-d3-PA	2143	14.19	125
Compound A	2201	15.24	190
3',5',5',7',7',7'-d6-Compound A	2196	15.19	194
7',7',7''-d3-compound A	2199	15.22	193
17,17-d2-GA12	2373	18.81	302
GA12	2374	18.82	300
17,17-d2-DHGA12	2592	22.95	288
17-14C-DHGA12	2599	22.7	288
17-14C-GA9	2361	18.29	300
METABOLITES_END
#END