Crystallization (Comment) | Organism |
---|---|
high-resolution crystal structures of the EV71 3Cpro/rupintrivir complex is determined, showing that although rupintrivir interacts with EV71 3Cpro similarly to HRV 3Cpro, the C terminus of the inhibitor cannot accommodate the leaving-group pockets of EV71 3Cpro. EV71 3Cpro possesses a surface-recessive S2' pocket that is not present in HRV 3Cpro that contributes to the additional substrate binding affinity | Enterovirus A71 |
Protein Variants | Comment | Organism |
---|---|---|
E71D | enzyme is void of catalytic activity. Structure of mutant E71D is determined: The structure shows that when Glu71 is replaced by Asp, the side chain is simply too short to reach the catalytic histidine and thus cannot provide enough electrostatic stabilization to the residue | Enterovirus A71 |
H133G | mutant H133G has close-to-wild-type enzyme activity and substrate specificity. Due to the practical difficulty in obtaining the measurable crystals from the wild-type, H133G mutant is used | Enterovirus A71 |
N69D | kcat/Km values are significantly reduced in mutant compared to wild-type | Enterovirus A71 |
N69S | kcat/Km values are significantly reduced in mutant compared to wild-type | Enterovirus A71 |
R39E | kcat/Km values are significantly reduced in mutant compared to wild-type | Enterovirus A71 |
R39K | kcat/Km values are significantly reduced in mutant compared to wild-type | Enterovirus A71 |
R39T | kcat/Km values are significantly reduced in mutant compared to wild-type | Enterovirus A71 |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
rupintrivir | - |
Enterovirus A71 |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Enterovirus A71 | E9LTP4 | 3C pro | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
Dabcyl-RTATVQGPSLDFE-EDANS + H2O | - |
Enterovirus A71 | Dabcyl-RTATVQ + GPSLDFE-EDANS | - |
? |
Synonyms | Comment | Organism |
---|---|---|
3C protease | - |
Enterovirus A71 |
3Cpro | - |
Enterovirus A71 |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
30 | - |
assay at | Enterovirus A71 |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7 | - |
assay at | Enterovirus A71 |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0023 | - |
pH 7.0, 30°C | Enterovirus A71 | rupintrivir |