Figure 2
AMPLE processes NMR structures into successful search models of various sizes. The structure of E. coli thioredoxin (PDB entry 1xoa
; Jeng et al., 1994) yields successful search models to solve the crystal structure of S. coelicolor thioredoxin (PDB entry 1t00
) containing, for example, (a) 108 residues (untruncated) retaining all side chains, (b) 60 residues with side chains trimmed to Cβ and (c) 15 residues with only selected side chains retained. A stereo comparison of the 1xoa
ensemble (green) and the target crystal structure, S. coelicolor thioredoxin (PDB entry 1t00
; magenta), is shown in (d). The figure was produced using PyMOL (https://www.pymol.org
). |