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Literature summary extracted from

  • Lin, F.Y.; Liu, Y.L.; Li, K.; Cao, R.; Zhu, W.; Axelson, J.; Pang, R.; Oldfield, E.
    Head-to-head prenyl tranferases: anti-infective drug targets (2012), J. Med. Chem., 55, 4367-4372.
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

EC Number Cloned (Comment) Organism
2.5.1.96
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 Staphylococcus aureus

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.5.1.96 in complex with three inhibitors bound, to about 2.1 A resolution. with inhibitor (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, enzyme forms two crystal structures. In both, the quinuclidine headgroup binds in the allylic S1 site with the side chain in S2, but in the presence of diphosphate and Mg2+, the quinuclidine's cationic center interacts with diphosphate and three Mg2+, mimicking a transition state involved in diphosphate ionization. Inhibitor 2-(4-phenoxyphenoxy)ethyl thiocyanate binds to the S2 site with its -SCN group surrounded by four hydrogen bond donors. Inhibitor N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1-3,7-]dec-2-yl]ethane-1,2-diamine forms two crystal structurs in complex with the enzyme. In one, the geranyl side chain binds to either S1 or S2 and the adamantane headgroup binds to S1. In the second, the side chain binds to S2 while the headgroup binds to S1 Staphylococcus aureus

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.5.1.96 (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol i.e. BPH-651, forms two crystal structures in complex with the enzyme. In both, the quinuclidine headgroup binds in the allylic S1 site with the side chain in S2, but in the presence of diphosphate and Mg2+, the quinuclidine's cationic center interacts with diphosphate and three Mg2+, mimicking a transition state involved in diphosphate ionization Staphylococcus aureus
2.5.1.96 2-(4-phenoxyphenoxy)ethyl thiocyanate i.e. WC-9, binds to the S2 site with its -SCN group surrounded by four hydrogen bond donors Staphylococcus aureus
2.5.1.96 N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1-3,7-]dec-2-yl]ethane-1,2-diamine i.e. SQ-109, forms two crystal structurs in complex with the enzyme. In one, the geranyl side chain binds to either S1 or S2 and the adamantane headgroup binds to S1. In the second, the side chain binds to S2 while the headgroup binds to S1 Staphylococcus aureus

Organism

EC Number Organism UniProt Comment Textmining
2.5.1.96 Staphylococcus aureus A9JQL9
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