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Literature summary for 4.2.3.17 extracted from
- Slow-starter enzymes role of active-site architecture in the catalytic control of the biosynthesis of taxadiene by taxadiene synthase (2018), Biochemistry, 57, 3773-3779 .
Protein Variants
| Protein Variants | Comment | Organism |
|---|---|---|
| additional information | a mutation Y841H, analogous to W753H mutation, can possibly lead to formation of verticillane | Taxus brevifolia |
| W753H | the mutation leads to the exclusive formation of side product cembrene A | Taxus brevifolia |
| W753H | the mutation leads to the exclusive formation of side product cembrene A. The simulations of the W753H mutant shows that, in the mutant structure, the His side chain is in the perfect position to deprotonate the cembrenyl cation en route to cembrene formation and that this abortive deprotonation is an energetically facile process | Taxus brevifolia |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| geranylgeranyl diphosphate | Taxus brevifolia | - |
taxa-4,11-diene + diphosphate | - |
? |  |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Taxus brevifolia | - |
- |
- |
| Taxus brevifolia | Q41594 | - |
- |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| geranylgeranyl diphosphate | - |
Taxus brevifolia | taxa-4,11-diene + diphosphate | - |
? | |
| additional information | the wild-type enzyme forms cembrene A as a side product, while enzyme mutant W753H produces cembrene A as main product | Taxus brevifolia | ? | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| TXS | - |
Taxus brevifolia |
General Information
| General Information | Comment | Organism |
|---|---|---|
| additional information | detailed mechanistic analysis of the biosynthesis of taxadiene by enzyme TXS using a hybrid quantum mechanics-molecular mechanics potential in conjunction with free energy simulation methods, overview. Generation of a free-energy fingerprint for type I terpene synthases. The active-site Trp residue W753 is a key feature of the TXS active-site architecture and stabilizes intermediate cations via Pi-cation interactions | Taxus brevifolia |
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