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Literature summary for 4.1.99.11 extracted from
- Insights into the glycyl radical enzyme active site of benzylsuccinate synthase: a computational study (2013), J. Am. Chem. Soc., 135, 12279-12288.
Protein Variants
| Protein Variants | Comment | Organism |
|---|---|---|
| E509A | site-directed mutagenesis, the mutation affects binding of fumarate | Thauera sp. DNT-1 |
| F384A | site-directed mutagenesis, the mutation affects binding of toluene | Thauera sp. DNT-1 |
| L390A | site-directed mutagenesis, the mutation affects binding of toluene | Thauera sp. DNT-1 |
| L491A | site-directed mutagenesis, the mutation affects binding of toluene | Thauera sp. DNT-1 |
| Q706A | site-directed mutagenesis, the mutation affects binding of fumarate | Thauera sp. DNT-1 |
| S827A | site-directed mutagenesis, the mutation affects binding of fumarate | Thauera sp. DNT-1 |
| V708A | site-directed mutagenesis, the mutation affects binding of toluene | Thauera sp. DNT-1 |
| Y829A | site-directed mutagenesis, the mutation affects binding of toluene | Thauera sp. DNT-1 |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| O2 | - |
Thauera sp. DNT-1 |  |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| benzylsuccinate | Thauera sp. DNT-1 | - |
toluene + fumarate | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Thauera sp. DNT-1 | Q8L1A3 | BssA; gene bssA | - |
Reaction
| Reaction | Comment | Organism | Reaction ID |
|---|---|---|---|
| benzylsuccinate = toluene + fumarate | substrate binding stabilizing the active site and reaction mechanism via glycyl radical, detailed overview. Syn addition of toluene to fumaric acid and facilitation of a mechanism that retains the hydrogen abstracted from the methyl group of toluene within the succinyl moiety. The stability of substrates at the active site and the occurrence of feasible radical transfer distances between the thiyl radical, substrates, and the active site glycine indicate a substrate-assisted radical transfer pathway governing fumarate addition | Thauera sp. DNT-1 |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| benzylsuccinate | - |
Thauera sp. DNT-1 | toluene + fumarate | - |
? | |
| benzylsuccinate | enzyme-substrate interactions at the active site by molecular dynamics simulations, overview | Thauera sp. DNT-1 | toluene + fumarate | involvement of Phe384, Leu390, Leu491, Tyr829, and Val708 in stabilizing toluene binding and Ser827, Glu509, and Gln706 in stabilizing fumaric acid binding | ? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| benzylsuccinate synthase | - |
Thauera sp. DNT-1 |
| BSS | - |
Thauera sp. DNT-1 |
| BSSA | - |
Thauera sp. DNT-1 |
General Information
| General Information | Comment | Organism |
|---|---|---|
| evolution | the enzyme belongs to the glycyl radical enzyme family | Thauera sp. DNT-1 |
| additional information | the catalytic subunit has the putative radical sites located on Cys492 and Gly828, induced-fit product docking approach and substrate-bound molecular dynamics simulations based on the refined active site topology, three-dimensional structure homology modeling, overview | Thauera sp. DNT-1 |
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Release 2023.1 (January 2023)
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