EC Number   |
|---|
   3.1.8.2 | - |
| 3.1.8.2 | at 2.2 A resolution, after exchange of available H atoms by using D2O. Collection of time-of-flight wavelength-resolved Laue images |
| 3.1.8.2 | by vapour diffusion using a protein solution with 2 mM protein in 10 mM Tris, pH 7.5, 2 mM CaCl2, against a precipitation solution containing 11% PEG 4000 in 0.1 M MES, pH 6.5, at room temperature, X-ray diffraction structure determination and analysis at 2.2 A resolution. Comparison with structures of enzyme mutants, overview |
| 3.1.8.2 | hanging drop vapour diffusion method |
| 3.1.8.2 | homology modeling and docking of substrates. The two identical hydrophobic isopropyl groups in diisopropyl fluorophosphate bind to two different sub-pockets in the binding-site. Sub-pocket 1 is formed by residues P36, E37, I72, A74 and M90 while sub-pocket 2 is formed by F173, N175, T195, and W244 |
| 3.1.8.2 | hydrodynamic model calculations based on the DFPase crystal structure from the native state enzyme structure in solution by use of different scattering methods, i.e. small-angle neutron scattering, overview |
| 3.1.8.2 | in complex with inhibitor O,O-dicyclopentylphosphoroamidate. Phosphoryl oxygen of inhibitor is directly coordinated to the catalytic calcium ion |
| 3.1.8.2 | mutant enzymes are crystallized at room temperature by hanging drop vapor diffusion method, using 0.1 M Tris buffer pH 8.5, 2% tacsimate, 16% (w/v) PEG 3350 for mutant E37A/Y144A/R146A/T195M or 0.2 M KCl, 0.05 M HEPES buffer pH 7.5, 35% (w/v) pentaerythriol propoxylate for mutant E37D/Y144A/R16A/T195M |
| 3.1.8.2 | mutant enzymes N120D/N175D/D229N, E21QN120D/N175D/D229N, and D121E are crystallized by hanging drop vapor diffusion method, using 0.1 M MES buffer pH 6.5, 14-20% (w/v) PEG 3350 |
| 3.1.8.2 | purified OPAA, in acetate buffer equilibrated in a reservoir solution containing a much greater concentration of acetate, 270 mM ammonium acetate and 60 mM sodium acetate, pH 4.6, X-ray structure determination and analysis at 2.7 A resolution for the enzyme with bound inhibitor N,N'-diisopropyldiamidophosphate, and at 2.3 A resolution for the native enzyme |
