view article

Figure 1
YASARA scene showing the changes made to PDB entry 2ask (Silvian et al., 2006BB48) by PDB_REDO. The atoms are coloured by atomic shift, with warmer colours marking larger shifts. (a) Overview of the structure model with atoms as spheres. Grey atoms were newly built by SideAide. (b) The residue with the greatest atomic shift (ArgA85) before (left) and after PDB_REDO. The side chain is moved to a completely different rotamer. (c) The rotamer change in Leu112 has led to a large displacement of the Cδ atoms, whereas the Cγ atom has hardly moved. (d) HisA32 with typical colouring for a side-chain flip. In the new conformation the side chain makes hydrogen bonds (thin orange rods) to sulfate A504 and water A508.

Journal logoSTRUCTURAL
ISSN: 2059-7983
Follow Acta Cryst. D
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds