Table 1.
Composition of metabolite cocktails and binding in the putative active sites of the AI-BP, Tm0922, and YxkO crystals.
| Cocktail | Cocktail composition | YjeF_N active sites | PF01256 active sites | ||
|---|---|---|---|---|---|
| AI-BP | N-Tm0922 | C-Tm0922 | YxkO | ||
| apo | - | sulfate1 | glycerol2 | - | - |
| A | adenine, adenosine, AMP, ADP, ATP, cAMP, dAMP, sucrose, L-arabinose | sulfate1 | glycerol2 | ADP/ATP | ADP/ATP |
| B | guanine, guanosine, 2’-deoxyguanosine, GDP, GTP, dGMP, dGDP, dGTP, D-sorbitol, D-fructose | sulfate1 | glycerol2 | - | - |
| C | cytosine, cytidine, CMP, CDP, dCMP, DL-carnitine, D-trehalose, xylitol | sulfate1 | glycerol2 | - | - |
| D | uracil, uridine, UMP, UDP, UTP, dUMP, UDP-glucose, D-mannitol, myo-inositol | sulfate1 | glycerol2 | - | - |
| E | thymine, thymidine, TMP, TDP, TTP, cTMP, TDP-glucose, 6-phosphogluconic acid | thymine/thymidine, sulfate1 | glycerol2 | - | - |
| F | pyridoxal phosphate, pyridoxal, pyridoxamine, phosphocholine, phosphoethanolamine, phosphoserine, phosphoglycerol | no diffraction | glycerol2 | - | - |
| G | ascorbic acid, NAD, NADP, FAD, betaine, 2’-dIMP, deoxycholic acid, CoQ10, ergocalciferol, α-tocopherol | no diffraction | NAD/NADP | NAD | NAD |
| H | SAM, SAH, CoA, NAAD, nicotinic acid, biotin, folic acid, thiamine, D-pantothenic acid, p-aminobenzoic acid, p-hydroxybenzoic acid | no diffraction | p-aminobenzoic acid, p-hydroxybenzoic acid | - | NAAD |
| I | FMN, riboflavin, uric acid, xanthine, pterin | no diffraction | glycerol2 | - | - |
| J | D-glucose, D-xylose, L-rhamnose, N-acetylgalactosamine, N-acetyl muramic acid | sulfate1 | glycerol2 | - | - |
| K | D-galactose, D-mannose, L-fucose, N-acetylglucosamine, N-acetyl neuraminic acid | sulfate1 | glycerol2 | - | - |
1
Sulfate, a component of crystallization media for AI-BP
2
Glycerol, a cryoprotectant for Tm0922 crystals, was bound in the pocket compartment of the YjeF_N site.