Table 1. Summary of soaking conditions and ligand occupancy for crystals soaked in d-amino acids.
Ligand(s) | pdb code | Soaking conditions | Site 1 ligand | Site 2 ligand | Site 3 ligand |
---|---|---|---|---|---|
d-Phe | 5E2L | 2.5 mM, 24 h | d-Phe | Water/ions | Water/ions |
d-Tyr | 5E40 | 1.6 mM final a | d-Tyr | Water/ions | Water/ions |
d-Tyr | 5E4N | 5 mM, 24 h | d-Tyr | Water/ions | d-Tyr |
l-Phe, d/l-Trp | 5E7Z | 0.25 mM l-Phe, 2.5 mM d/l-Trp, 24 h b | l-Phe | d/l-Trp | Water/ions |
d-Trp | 5E5G | 10 mM d-Trp, 24 h | d-Trp | d-Trp | Waters/Ions |
a two additions of 0.2 μL of a 10 mM D-Tyr stock solution to a 2 μL drop, 24 hours between first and second addition and 24 hours between second addition and crystal freezing.
b soaked in l-Phe and d-Trp (Acros, 92%ee by HPLC), which resulted in electron density in the Trp site which was modelled as d- and l-Trp at 50% occupancy each.