Table I. Allosteric test set and substrate-effector coupling parameters in applicable proteins.
All structures are determined by x-ray crystallography with resolutions ranging from 1.8 to 2.9 Å. Details for the inactive and active structures of the 15 proteins, including resolution and ligands bound to each state, can be found in supplementary table II of our allosteric benchmark paper.10 For connectivity, P (partial) means that at least one substrate node connects to at least one effector node through the graph, whereas ‘G’ (global) means that a single cluster connects all substrate and effector nodes. LSE is the length of the shortest substrate-effector path, including protein-ligand contacts, where applicable.
| Protein |
T = 0.20
|
T = 0.30
|
T = 0.40
|
|||
|---|---|---|---|---|---|---|
| Connect? | L | Connect? | L | Connect? | L | |
| anthranilate synthase | N | - | N | - | N | - |
| ATCase | Y | 10 | N | - | N | - |
| ATP sulfurylase | Y | 7 | N | - | N | - |
| ATP-PRT | N | - | N | - | N | - |
| DAHP synthase | N | - | N | - | N | - |
| FBPase-1 | Y | 7 | Y | 8 | Y | 9 |
| glcN-6-P deaminase | Y | 6 | N | - | N | - |
| glycogen phosphorylase | Y | 9 | N | - | N | - |
| GTP cyclo-hydrolase I | Y | 5 | Y | 6 | Y | 7 |
| lactate DH | Y | 5 | Y | 5 | N | - |
| NAD-malic enzyme | Y | 7 | N | - | N | - |
| phosphofructokinase | Y | 3 | Y | 3 | Y | 3 |
| phosphoglycerate DH | N | - | N | - | N | - |
| PTB1B | Y | 6 | N | - | N | - |
| uracil PRT | Y | 4 | Y | 4 | N | - |