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. 2013 Aug 12;22(10):1379–1391. doi: 10.1002/pro.2329

Figure 5.

Figure 5

An example of similar ADP-binding patches with different EPots: (A) Human inositol (1,4,5)-triphosphate 3-kinase (PDB ID: 1W2D), which accommodates ADP (cyan), 4IP (inositol-(1,3,4,5)-tetrakisphosphate; purple) and MN (manganese (II) ion; green), (B) Archaeoglobus fulgidus Rio2 kinase (PDBID: 1ZAR) which accommodates ADP (yellow) and MN (green), (C) Superposition of these ADPs with the local molecular surface of 1W2D (left) and that of 1ZAR (right); PatSim score with EPot = 0.118 and that without EPot = 0.896.