Skip to main content
Figure 6 | BMC Structural Biology

Figure 6

From: Protein Functional Surfaces: Global Shape Matching and Local Spatial Alignments of Ligand Binding Sites

Figure 6

Retrieval of HIV-1 proteases from the GPSS library using surface similarity. The binding surface of human HIV-1 protease (ab) complexed with inhibitor BEB (c) was queried against the GPSS library. The sorted KS distances are shown in (d) with other HIV-1 proteases highlighted in red. ROC curves for retrieval using SurfaceShapeSignature, SurfaceAlign and SurfaceScreen scoring are shown in (e). The highest ranking non-protease surface was from the DcmaT (h) binding surface aclacinomycin methylesterase (RdmC) from S. purpurascens (fg). A superposition of the surfaces based on the SurfaceAlign alignment (ij) and with their respective ligands (k).

Back to article page