#METABOLOMICS WORKBENCH Zhangzhenxi1995_20240605_222654 DATATRACK_ID:4906 STUDY_ID:ST003265 ANALYSIS_ID:AN005349 PROJECT_ID:PR002027
VERSION                          	1
CREATED_ON                       	06-18-2024
#PROJECT
PR:PROJECT_TITLE                 	Malic Enzyme 2 maintains metabolic state and anti-tumor immunity of CD8+ T cells
PR:PROJECT_SUMMARY               	The functional integrity of CD8+ T cells is closely linked to metabolic
PR:PROJECT_SUMMARY               	reprogramming, therefore, understanding of the metabolic basis of CD8+ T cell
PR:PROJECT_SUMMARY               	activation and antitumor immunity could provide insights into tumor
PR:PROJECT_SUMMARY               	immunotherapy. Here, we report that ME2 is critical for CD8+ T cell activation
PR:PROJECT_SUMMARY               	and immune response against malignancy. ME2 deficiency suppresses CD8+ T cells
PR:PROJECT_SUMMARY               	activation and anti-tumor immune response in vitro and in vivo. Mechanistically,
PR:PROJECT_SUMMARY               	ME2 depletion blocks the TCA cycle flux, leading to the accumulation of
PR:PROJECT_SUMMARY               	fumarate. Fumarate directly binds to DAPK1 and inhibits its activity by
PR:PROJECT_SUMMARY               	competing with ATP for binding. Notably, ME2 deficiency increases the ratio of
PR:PROJECT_SUMMARY               	fumarate to ATP, thereby leading to the inhibition of DAPK1. Consistently,
PR:PROJECT_SUMMARY               	pharmacological inhibition of DAPK1 abolishes the anti-tumor function conferred
PR:PROJECT_SUMMARY               	by ME2 to CD8+ T cells. Collectively, these findings demonstrate a role for ME2
PR:PROJECT_SUMMARY               	in the regulation of CD8+ T cell metabolism and effector functions, as well as
PR:PROJECT_SUMMARY               	an unexpected function for fumarate as a metabolic signal in the inhibition of
PR:PROJECT_SUMMARY               	DAPK1.
PR:INSTITUTE                     	Peking Union Medical College
PR:LAST_NAME                     	zhenxi
PR:FIRST_NAME                    	zhang
PR:ADDRESS                       	Beijing Dongdan Santiao No.5
PR:EMAIL                         	13121716766@163.com
PR:PHONE                         	010-69156953
PR:DOI                           	http://dx.doi.org/10.21228/M8M24P
#STUDY
ST:STUDY_TITLE                   	Malic Enzyme 2 maintains metabolic state and anti-tumor immunity of CD8+ T cells
ST:STUDY_SUMMARY                 	For metabolite analysis, naive ME2+/+ and ME2-/- CD8+ T cells were isolated and
ST:STUDY_SUMMARY                 	activated with anti-CD3 (4μg/ml) and anti-CD28 (1μg/ml). Cells were washed
ST:STUDY_SUMMARY                 	twice with ice-cold PBS and metabolites were extracted with ice-cold 80%
ST:STUDY_SUMMARY                 	methanol. The extracts were analyzed by LC-MS/MS.
ST:INSTITUTE                     	Peking Union Medical College
ST:LAST_NAME                     	zhang
ST:FIRST_NAME                    	zhenxi
ST:ADDRESS                       	Beijing Dongdan Santiao No.5
ST:EMAIL                         	13121716766@163.com
ST:PHONE                         	69156953
ST:SUBMIT_DATE                   	2024-06-05
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	S-2	K1	Genotype:Me2-knockout | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=K1.RAW
SUBJECT_SAMPLE_FACTORS           	S-2	K2	Genotype:Me2-knockout | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=K2.RAW
SUBJECT_SAMPLE_FACTORS           	S-2	K3	Genotype:Me2-knockout | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=K3.RAW
SUBJECT_SAMPLE_FACTORS           	S-1	KO1	Genotype:Me2-knockout | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=KO1.RAW
SUBJECT_SAMPLE_FACTORS           	S-1	KO2	Genotype:Me2-knockout | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=KO2.RAW
SUBJECT_SAMPLE_FACTORS           	S-1	KO3	Genotype:Me2-knockout | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=KO3.RAW
SUBJECT_SAMPLE_FACTORS           	S-1	KO4	Genotype:Me2-knockout | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=KO4.RAW
SUBJECT_SAMPLE_FACTORS           	S-1	KO5	Genotype:Me2-knockout | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=KO5.RAW
SUBJECT_SAMPLE_FACTORS           	S-2	W1	Genotype:wild-type | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=W1.RAW
SUBJECT_SAMPLE_FACTORS           	S-2	W2	Genotype:wild-type | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=W2.RAW
SUBJECT_SAMPLE_FACTORS           	S-2	W3	Genotype:wild-type | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=W3.RAW
SUBJECT_SAMPLE_FACTORS           	S-1	WT1	Genotype:wild-type | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=WT1.RAW
SUBJECT_SAMPLE_FACTORS           	S-1	WT2	Genotype:wild-type | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=WT2.RAW
SUBJECT_SAMPLE_FACTORS           	S-1	WT3	Genotype:wild-type | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=WT3.RAW
SUBJECT_SAMPLE_FACTORS           	S-1	WT4	Genotype:wild-type | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=WT4.RAW
SUBJECT_SAMPLE_FACTORS           	S-1	WT5	Genotype:wild-type | Sample source:CD8 T cell	RAW_FILE_NAME(Raw file name)=WT5.RAW
#COLLECTION
CO:COLLECTION_SUMMARY            	Mouse CD8+ T cells were isolated from the spleen and lymph nodes of ME2
CO:COLLECTION_SUMMARY            	wild-type and ME2 knockout mice (knockdown of ME2 in T cells). The mice were
CO:COLLECTION_SUMMARY            	euthanized and soaked in 75% alcohol for 3 minutes. Separate mouse spleens using
CO:COLLECTION_SUMMARY            	a dissector and grind them into single-cell suspensions using a grinder.
CO:COLLECTION_SUMMARY            	Single-cell suspension was used for CD8+ T cell isolation using the Mouse
CO:COLLECTION_SUMMARY            	Lymphocyte Isolation Kit (Biolegend, 480044, China). T cells were cultured in
CO:COLLECTION_SUMMARY            	RMPI-1640 medium supplemented with 10% FBS, 10μg/ml β-mercaptoethanol, and 1%
CO:COLLECTION_SUMMARY            	penicillin and streptomycin. For metabolite analysis, CD8+ T cells were
CO:COLLECTION_SUMMARY            	stimulated with 4 μg/ml anti-CD3 and 1μg/ml anti-CD28 antibodies for 24 h.
CO:SAMPLE_TYPE                   	T-cells
CO:STORAGE_CONDITIONS            	On ice
#TREATMENT
TR:TREATMENT_SUMMARY             	Naive ME2+/+ and ME2-/- CD8+ T cells were isolated and activated with anti-CD3
TR:TREATMENT_SUMMARY             	(4μg/ml) and anti-CD28 (1μg/ml).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For metabolite analysis, naive ME2+/+ and ME2-/- CD8+ T cells were isolated and
SP:SAMPLEPREP_SUMMARY            	activated with anti-CD3 (4μg/ml) and anti-CD28 (1μg/ml). Cells were washed
SP:SAMPLEPREP_SUMMARY            	twice with ice-cold PBS and metabolites were extracted with ice-cold 80%
SP:SAMPLEPREP_SUMMARY            	methanol. The extracts were analyzed by LC-MS/MS.
SP:EXTRACTION_METHOD             	Cells were washed twice with ice-cold PBS and metabolites were extracted with
SP:EXTRACTION_METHOD             	ice-cold 80% methanol.
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Merck SeQuant ZIC-HILIC (150 x 2.1mm,5um)
CH:COLUMN_TEMPERATURE            	35
CH:FLOW_GRADIENT                 	0-2 min, 100% phase A; 2-11 min, 0% to 100% B; 11-13 min, 100% B; 13-15 min, 0%
CH:FLOW_GRADIENT                 	to 100% A.
CH:FLOW_RATE                     	0.4 ml/min
CH:SOLVENT_A                     	100% water; 0.1 % formic acid
CH:SOLVENT_B                     	100% methanol; 0.1 % formic acid
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Focus
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	The Q Exactive mass spectrometer was operated in full MS and polarity switching
MS:MS_COMMENTS                   	mode (acquisition from m/z 50 to 500) with a scan resolution set at 35,000. Five
MS:MS_COMMENTS                   	independent cell cultures were measured for each condition and samples were
MS:MS_COMMENTS                   	randomised in order to avoid bias in sample analyses due to machine drift. Q
MS:MS_COMMENTS                   	Exactive LC-MS/MS vendor raw data files were converted to the open source format
MS:MS_COMMENTS                   	mzML using the program ProteoWizard, and then the XCMS program was used for peak
MS:MS_COMMENTS                   	alignment, retention time correction and peak area extraction. Significance was
MS:MS_COMMENTS                   	determined using an unpaired Student's t-test. p-value < 0.05 was considered as
MS:MS_COMMENTS                   	statistically significant. The acquired spectra were analysed using XCalibur
MS:MS_COMMENTS                   	Qual Browser and XCalibur Quan Browser software (Thermo Scientific) by
MS:MS_COMMENTS                   	referencing to an internal library of compounds.
MS:ION_MODE                      	UNSPECIFIED
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak area
MS_METABOLITE_DATA_START
Samples	K1	K2	K3	KO1	KO2	KO3	KO4	KO5	W1	W2	W3	WT1	WT2	WT3	WT4	WT5
Factors	Genotype:Me2-knockout | Sample source:CD8 T cell	Genotype:Me2-knockout | Sample source:CD8 T cell	Genotype:Me2-knockout | Sample source:CD8 T cell	Genotype:Me2-knockout | Sample source:CD8 T cell	Genotype:Me2-knockout | Sample source:CD8 T cell	Genotype:Me2-knockout | Sample source:CD8 T cell	Genotype:Me2-knockout | Sample source:CD8 T cell	Genotype:Me2-knockout | Sample source:CD8 T cell	Genotype:wild-type | Sample source:CD8 T cell	Genotype:wild-type | Sample source:CD8 T cell	Genotype:wild-type | Sample source:CD8 T cell	Genotype:wild-type | Sample source:CD8 T cell	Genotype:wild-type | Sample source:CD8 T cell	Genotype:wild-type | Sample source:CD8 T cell	Genotype:wild-type | Sample source:CD8 T cell	Genotype:wild-type | Sample source:CD8 T cell	
Adenosine Diphosphate(ADP)	5360302.0000	5281175.5000	4863602.5000	2170000.0000	3450000.0000	3490000.0000	2890000.0000	2730000.0000	3566545.2500	2635199.2500	3961358.7500	5370000.0000	3470000.0000	3200000.0000	3200000.0000	2560000.0000
Adenosine Monophosphate(AMP)	443554.9100	612365.5600	376734.5900	695000.0000	896000.0000	910000.0000	779000.0000	787000.0000	923732.8100	674310.5600	544652.6900	1150000.0000	914000.0000	825000.0000	720000.0000	722000.0000
Adenosine Triphosphate(ATP)	1016199.6900	1123779.7500	1393685.1200	23900000.0000	36000000.0000	31900000.0000	23200000.0000	20400000.0000	654364.0600	738914.5600	690311.4400	50900000.0000	30700000.0000	28400000.0000	29600000.0000	34300000.0000
Choline	112415192.0000	104843560.0000	122579224.0000	2060000.0000	1240000.0000	1770000.0000	1590000.0000	1970000.0000	109157376.0000	110414752.0000	108186024.0000	988000.0000	1310000.0000	1150000.0000	1600000.0000	2770000.0000
Citric Acid	831950.5000	1175230.3800	2267278.0000	1430000.0000	653000.0000	727000.0000	797000.0000	1750000.0000	400507.1600	170810.8000	1046639.5000	2010000.0000	840000.0000	768000.0000	2150000.0000	1160000.0000
Creatine	277272.1900	240844.3900	237221.8600	242000.0000	139000.0000	166000.0000	227000.0000	209000.0000	202860.9500	232698.5600	257040.9500	103000.0000	129000.0000	133000.0000	209000.0000	256000.0000
Fructose 1_6-Bisphosphate	85321.6600	72985.9900	53750.2200	173000.0000	192000.0000	157000.0000	132000.0000	198000.0000	48961.5000	57595.2500	47305.6900	443000.0000	229000.0000	170000.0000	284000.0000	191000.0000
Fumaric Acid	40910924.0000	39579252.0000	40370740.0000	650000.0000	811000.0000	736000.0000	753000.0000	712000.0000	3881326.0000	4596558.0000	4905779.0000	109000.0000	70400.0000	67700.0000	99700.0000	73300.0000
Gamma-Aminobutyric Acid	4787206.0000	4567318.0000	5074342.0000	357000.0000	194000.0000	298000.0000	261000.0000	335000.0000	5985165.5000	6824239.5000	6742473.5000	178000.0000	208000.0000	180000.0000	276000.0000	485000.0000
L-Lactic Acid	92217152.0000	65892508.0000	94951104.0000	384000.0000	165000.0000	108000.0000	223000.0000	308000.0000	71447112.0000	92646104.0000	69461024.0000	121000.0000	244000.0000	180000.0000	189000.0000	315000.0000
Malic Acid	334112480.0000	317340128.0000	317928064.0000	9810000.0000	11800000.0000	10700000.0000	10500000.0000	10300000.0000	30549206.0000	37206416.0000	41900972.0000	1830000.0000	810000.0000	817000.0000	1330000.0000	888000.0000
NAD	3626126.7500	4459451.5000	4102124.0000	1870000.0000	2030000.0000	1870000.0000	1830000.0000	2030000.0000	2667292.2500	2812191.2500	2899324.0000	2370000.0000	1550000.0000	1480000.0000	2090000.0000	1820000.0000
NADH	411093.0900	443840.3400	392185.6200	88000.0000	104000.0000	91500.0000	100000.0000	57800.0000	389966.5900	474420.0000	379897.9100	180000.0000	146000.0000	137000.0000	203000.0000	108000.0000
NADP			110334.0200	945000.0000	1320000.0000	1050000.0000	1010000.0000	871000.0000		3180.1600	94372.8100	1570000.0000	1060000.0000	862000.0000	1200000.0000	925000.0000
NADPH	53489.0300	112655.9400	33893.9000	36100.0000	25500.0000	42300.0000	4600.0000	5440.0000	40242.5200	49131.6200	11903.7400	83400.0000	5840.0000	101000.0000	7780.0000	55300.0000
Succinic Acid	12713237.0000	11103603.0000	13089128.0000	6030000.0000	5990000.0000	5640000.0000	6180000.0000	6890000.0000	6596342.5000	10191412.0000	7935360.0000	2900000.0000	1810000.0000	1730000.0000	2330000.0000	1910000.0000
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
Adenosine Diphosphate(ADP)			C05543						
Adenosine Monophosphate(AMP)			C00186						
Adenosine Triphosphate(ATP)			C00300						
Choline			C00127						
Citric Acid			C00670						
Creatine			C00093						
Fructose 1,6-Bisphosphate			C00114						
Fumaric Acid			C01157						
Gamma-Aminobutyric Acid			C00021						
L-Lactic Acid									
Malic Acid			C00597						
NAD			C00119						
NADH			C00002						
NADP			C00148						
NADPH			C00112						
Succinic Acid			C00301						
METABOLITES_END
#END