Inhibitors | Comment | Organism | Structure |
---|---|---|---|
additional information | Asp335 has a strong anticatalytic effect on the OH group migration despite its important role in substrate binding. The synergistic interplay of the O-C bond cleavage by Ca2+ ion and the deprotonation of the spectator OH-group by Glu170 is required to overcome the anticatalytic effect of Asp335 | Klebsiella oxytoca |
Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Ca2+ | directly coordinates to substrate and is essential for structural retention and substrate binding | Klebsiella oxytoca | |
K+ | activates | Klebsiella oxytoca | |
additional information | the activation energy for the OH group migration, which is essential in the conversion of diols to corresponding aldehydes, is sensitive to the identity of the metal ion | Klebsiella oxytoca |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
propane-1,2-diol | Klebsiella oxytoca | - |
propanal + H2O | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Klebsiella oxytoca | - |
- |
- |
Reaction | Comment | Organism | Reaction ID |
---|---|---|---|
propane-1,2-diol = propanal + H2O | reaction mechanism, quantum mechanical/molecular mechanical, QM/MM, modeling of diol dehydratase based on the crystal structure of diol dehydratase-adeninylpentylcobalamin complex, overview. The hydrogen recombination is the rate-determining step for the overall reaction | Klebsiella oxytoca |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
additional information | Asp335 has a strong anticatalytic effect on the OH group migration despite its important role in substrate binding. The synergistic interplay of the O-C bond cleavage by Ca2+ ion and the deprotonation of the spectator OH-group by Glu170 is required to overcome the anticatalytic effect of Asp335 | Klebsiella oxytoca | ? | - |
? | |
propane-1,2-diol | - |
Klebsiella oxytoca | propanal + H2O | - |
? | |
propane-1,2-diol | substrate binding structure and mechanism, overview | Klebsiella oxytoca | propanal + H2O | - |
? |
Synonyms | Comment | Organism |
---|---|---|
coenzyme B12-dependent diol dehydratase | - |
Klebsiella oxytoca |