Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(E)-2'-fluoromethylene-2'-deoxycytidine-5-diphosphate | i.e. N3dNDP, inhibitor forming a furanone intermediate. Modeling of enzyme-inhibitor complex | Escherichia coli | |
gemcitabine | i.e. F2dNDP, inhibitor forming a furanone intermediate. Modeling of enzyme-inhibitor complex | Escherichia coli | |
additional information | reaction involves formation of a keto-deoxyribonucleotide intermediate. In case of furanone inhibitors, the intermediate dissociates from the active site, depending on the solvation free energy of the 2-substituents, its influence inside the active site, and the charge transfer mechanism from a protein side chain to solution as thermodynamic driving forces. Substrates do not dissociate from the active site but complete the catalytic cycle | Escherichia coli |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Escherichia coli | - |
use of crystal structure for modeling of active site | - |
Reaction | Comment | Organism | Reaction ID |
---|---|---|---|
2'-deoxyribonucleoside 5'-diphosphate + thioredoxin disulfide + H2O = ribonucleoside 5'-diphosphate + thioredoxin | reaction involves formation of a keto-deoxyribonucleotide intermediate. In case of furanone inhibitors, the intermediate dissociates from the active site, depending on the solvation free energy of the 2-substituents, its influence inside the active site, and the charge transfer mechanism from a protein side chain to solution as thermodynamic driving forces. Substrates do not dissociate from the active site but complete the catalytic cycle | Escherichia coli |