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Figure 8 | BMC Bioinformatics

Figure 8

From: Visualisation of variable binding pockets on protein surfaces by probabilistic analysis of related structure sets

Figure 8

Scoring a simulated ensemble of apo structures of Bcl-2 identifies variation in a known ligand binding site. (A) Pocket-lining atoms (red) identified from a PASS analysis of the apo crystal structure of Bcl-2 [PDB:1GJH] capture only part of the binding site of an acyl-sulfonamide-based ligand, here illustrated by superimposing the ligand from [PDB:2O1Y]. (B) Provar analysis of a tCONCOORD-generated ensemble of apo structures indicates that pocket-lining residues (red) are found along the full-length of the binding groove in most structures.

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