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Figure 6 | BMC Bioinformatics

Figure 6

From: A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sites

Figure 6

Reduced protein structure representation with C α atoms and Delaunay tessellation showing the computed geometric potential. Each vertex in the figure corresponds to a Cα atom. The relative values of the geometric potential are color-coded, red (highest), blue (lowest). The structures shown in the left and the right columns are holo and apo proteins, respectively. The known ligand binding site is located in the white circle. The RMSD between the holo and apo protein across the whole structure is shown above the arrow. (A) Immunoglobulin 48g7 germline fab (PDB id: 1AJ7 and 2RCS); (B) Adenylate kinase (PDB id: 1AKE and 4AKE); (C) HIV-1 reverse transcriptase (PDB id: 1VRT and 1RTJ); (D) Maltodextrin binding protein (PDB id: 1ANF and 1OMP).

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