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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.