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Literature summary extracted from

  • Abdelmagid, W.M.; Adak, T.; Freeman, J.O.; Tanner, M.E.
    Studies with guanidinium- and amidinium-based inhibitors suggest minimal stabilization of allylic carbocation intermediates by dehydrosqualene and squalene synthases (2018), Biochemistry, 57, 5591-5601 .
    View publication on PubMed

Cloned(Commentary)

EC Number Cloned (Comment) Organism
2.5.1.96 expressed in Escherichia coli Rosetta(DE3) cells Staphylococcus aureus

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.5.1.96 ([[(E)-[[(3E)-4,8-dimethylnona-3,7-dien-1-yl](methyl)iminio]methyl]amino]methyl)(phosphonomethyl)phosphinate competitive inhibitor Staphylococcus aureus
2.5.1.96 [([(E)-amino[(4,8-dimethylnonyl)(methyl)iminio]methyl]amino)methyl](phosphonomethyl)phosphinate competitive inhibitor Staphylococcus aureus
2.5.1.96 [[([[(4,8-dimethylnonyl)(methyl)carbamoyl]amino]methyl)(hydroxy)phosphoryl]methyl]phosphonic acid competitive inhibitor Staphylococcus aureus

Metals/Ions

EC Number Metals/Ions Comment Organism Structure
2.5.1.96 Mg2+ 5 mM used in assay conditions Staphylococcus aureus

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.5.1.96 2 (2E,6E)-farnesyl diphosphate Staphylococcus aureus
-
 presqualene diphosphate + diphosphate
-
 ?
2.5.1.96 2 (2E,6E)-farnesyl diphosphate Staphylococcus aureus MS4
-
 presqualene diphosphate + diphosphate
-
 ?
2.5.1.96 presqualene diphosphate Staphylococcus aureus
-
 15-cis-4,4'-diapophytoene + diphosphate
-
 ?
2.5.1.96 presqualene diphosphate Staphylococcus aureus MS4
-
 15-cis-4,4'-diapophytoene + diphosphate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.5.1.96 Staphylococcus aureus
-
-
-
2.5.1.96 Staphylococcus aureus MS4
-
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
2.5.1.96 Ni-Sepharose column chromatography Staphylococcus aureus

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.5.1.96 2 (2E,6E)-farnesyl diphosphate
-
 Staphylococcus aureus presqualene diphosphate + diphosphate
-
 ?
2.5.1.96 2 (2E,6E)-farnesyl diphosphate
-
 Staphylococcus aureus MS4 presqualene diphosphate + diphosphate
-
 ?
2.5.1.96 presqualene diphosphate
-
 Staphylococcus aureus 15-cis-4,4'-diapophytoene + diphosphate
-
 ?
2.5.1.96 presqualene diphosphate
-
 Staphylococcus aureus MS4 15-cis-4,4'-diapophytoene + diphosphate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.5.1.96 dehydrosqualene synthase
-
 Staphylococcus aureus
2.5.1.96 DSQS
-
 Staphylococcus aureus

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
2.5.1.96 0.0006
-
 [[([[(4,8-dimethylnonyl)(methyl)carbamoyl]amino]methyl)(hydroxy)phosphoryl]methyl]phosphonic acid at pH 7.5 and 37°C Staphylococcus aureus
2.5.1.96 0.0019
-
 [([(E)-amino[(4,8-dimethylnonyl)(methyl)iminio]methyl]amino)methyl](phosphonomethyl)phosphinate at pH 7.5 and 37°C Staphylococcus aureus
2.5.1.96 0.0042
-
 ([[(E)-[[(3E)-4,8-dimethylnona-3,7-dien-1-yl](methyl)iminio]methyl]amino]methyl)(phosphonomethyl)phosphinate at pH 7.5 and 37°C Staphylococcus aureus

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.5.1.96 0.0055
-
 at pH 7.5 and 37°C Staphylococcus aureus [[([[(4,8-dimethylnonyl)(methyl)carbamoyl]amino]methyl)(hydroxy)phosphoryl]methyl]phosphonic acid
2.5.1.96 0.017
-
 at pH 7.5 and 37°C Staphylococcus aureus [([(E)-amino[(4,8-dimethylnonyl)(methyl)iminio]methyl]amino)methyl](phosphonomethyl)phosphinate
2.5.1.96 0.045
-
 at pH 7.5 and 37°C Staphylococcus aureus ([[(E)-[[(3E)-4,8-dimethylnona-3,7-dien-1-yl](methyl)iminio]methyl]amino]methyl)(phosphonomethyl)phosphinate