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Table 2 34 proteins with active site nsSNV with substrate/product/pathway relationships ideal for use in metabolomics

From: A framework for application of metabolic modeling in yeast to predict the effects of nsSNV in human orthologs

UniProtKB Normal Variation Position Substrate increased Substrate ID Product decreased Product ID
A2RTX5 t a 532 L-threonine CID: 6288 L-threonyl-tRNA SID: 5901
O43175 r c 236 3-phospho-D-glycerate CID: 439183 3-phosphonooxypyruvate CID: 105
O75891 p l 107 10-formyltetrahydrofolate CID: 122347 Tetrahydrofolate CID: 91443
O75908 h q 434 cholesterol CID: 5997 Cholesterol ester SID: 5537
O75936 h q 347 4-trimethylammoniobutanoate CID: 134 Carnitine CID: 85
O95336 r c 185 6-phospho-D-glucono-1,5-lactone CID: 439452 6-phospho-D-gluconate CID: 91493
O95363 q x 160 L-phenylalanine CID: 6140 L-phenylalanyl-tRNA(Phe) SID: 6321
O95479 r c 728 Beta-D-glucose 6-phosphate CID: 439427 6-phospho-D-gluconate CID: 91493
O95861 a v 221 PAPS CID: 10214 Adenylyl sulfate CID: 10238
P04180 s n 205 Phosphatidyl choline SID: 3457 2-lysolecithin SID: 6900
P09417 y c 150 Tetrahydrobiopterin CID: 44257 Dihydrobiopterin CID: 133246
P13716 r p 221 5-aminolevulinate CID: 137 Porphobilinogen CID: 1021
P22830 d g 383 Ferrous ion | protoporphyrin IX CID: 27284 | CID: 4971 Heme CID: 444097
P23109 h q 305 Adenylic acid CID: 6083 Ammonia | inosinic acid CID: 222 | CID: 8582
P23946 h r 66 Angiotensin I CID: 3081372 Angiotensin CID: 172198
P25092 t a 618 Guanosine 5'-triphosphate CID: 6830 Cyclic gmp CID: 24316
P42357 g s 165 L-histidine CID: 6274 Urocanic acid CID: 736715
P43251 a s 271 Biocytin CID: 440721 Biotin | L-lysine CID: 171548 |CID: 5962
P48637 r c 125 Glycine | gamma-glutamylcysteine CID: 750 | CID: 123938 Glutathione CID: 124886
P49247 d y 160 D-ribulose 5-phosphate CID: 439184 Ribose 5-phosphate CID: 439167
Q02127 t i 284 L-dihydroorotic acid CID: 439216 Orotic acid CID: 967
Q02809 r h 718 Protein lysine SID: 5259 Procollagen 5-hydroxy-L-lysine SID: 4433
Q16873 r k 104 Leukotriene A4 CID: 5280383 Leukotriene C4 CID: 5280493
Q3SY69 y x 127 10-formyltetrahydrofolate CID: 122347 Tetrahydrofolate CID: 91443
Q6PI48 r x 266 L-aspartic acid CID: 5960 L-aspartyl-tRNA(Asp) SID: 5893
Q8IVS2 s t 153 Malonyl-CoA CID: 10663 Malonyl-[acyl-carrier-protein] SID: 4431
Q8N5D6 y x 121 Globoside SID: 124490726 IV3GalNAca-Gb4Cer SID: 124490727
Q8TDQ7 p s 182 D-glucosamine phosphate CID: 440997 Beta-D-fructose 6-phosphate CID: 440641
Q96C23 r x 82 Alpha-D-glucose CID: 79025 Beta-D-glucose CID: 64689
Q96GX9 g r 47 S-methyl-5-thio-D-ribulose 1-phosphate CID: 174549 5-(methylthio)-2,3-dioxopenyl phosphate CID: 561
Q99487 h r 314 Platelet-activating factor SID: 7195 1-alkyl-sn-glycero-3-phosphocholine SID: 6975
Q9NVF9 n s 94 Ethanolamine CID: 700 Phosphoethanolamine CID: 1015
Q9P2T1 g d 242 Guanylic acid CID: 6804 Inosinic acid CID: 8582
Q9Y2Z4 g s 243 L-tyrosine CID: 6057 L-tyrosyl-tRNA(Tyr) SID: 5781
  1. This table provides the UniProtKB accession ID, normal and variable residues, position of the variation and substrate/product pairs with PubChem IDs for 34 proteins with annotated nsSNVs at the active site. These proteins were chosen for this study based on a one-protein, one-variation, one-substrate/product pair relationship to simplify preliminary modeling by ensuring no complex interactions for the given protein pathway. NOTE: This table has been updated since the prior publication to include 2 additional proteins which were later identified to meet the criteria.