Ligand structure generation

The only structurally characterized derivative of a trisimido organophos-phonate anion is the spirocyclic tellurium(IV) complex (19), which is obtained from the interesting redox reaction between PhPCl2 and [Li2Te(N Bu)3 ] 2 [27]. The phosphorus(V)-centered ligands are generated by imide transfer from tellurium to the phosphorus(III) atoms with concomitant reduction of one-half of the tellurium in the Te(IV) reagent to elemental tellurium [27]. 

Figure 13.3 Potential pharmacophore points can be generated with MOE s site detection algorithm. The white and red dots are the antomatically generated site points, and the ligand structure comes from the X-ray structure of the complex. See color plate.

Figure 10.6. Structural features of D. vulgaris Rbr (deMare et al. 1996). A, Rbr subunit with protein backbone and iron atoms (spheres). B, Diiron-oxo site with amino acid side chain ligands. Models generated via RASMOL (Sayle and Milner-White 1995) and coordinates from IRYT in the Protein Databank.

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