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Figure 8 | BMC Research Notes

Figure 8

From: Computational analysis of pathogen-borne metallo β-lactamases reveals discriminating structural features between B1 types

Figure 8

Structural conformation adjustments within the active sites between bound-unbound structures of NDM-1, IMP-1, VIM-2 and ccrA. Charts were generated as follows: in each case, a bound reference from one of the four B1 MBL types was selected for examination. The bound reference was compared to other bound B1 MBL structures using LGA (maximal distance of 4 Å), and similarly to unbound B1 MBL structures. Residue shifts within a 4 Å distance of either the bound ligand or the dinuclear zincs were drawn on a XY-plot, with the X-axis referring to differences in the bound target and the unbound templates, and Y-axis the bound target against other bound templates, alternatively using NDM-1, IMP-1, VIM-2 and ccrA as a bound representative. The horizontal line shows the line of equal change between bound and unbound comparisons (thus, residues on the top right are residues that deviate in either case). K211/161/167 and R185 (Y181) from NDM-1, IMP-1, ccrA and VIM-2, a ligand binding-associated residue, are highlighted for comparison in red.

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