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Table 5 Residue-specific ligand binding probability

From: In silico characterisation, homology modelling and structure-based functional annotation of blunt snout bream (Megalobrama amblycephala) Hsp70 and Hsc70 proteins

  PDB ID C-score Clust. size Ligand Ligand-binding site residues
Ma-Hsp70 1kax-A 0.98 176 ATP 14, 15, 16, 17, 203, 204, 205, 206, 232, 270, 273, 274, 277, 340, 341, 342, 344, 345, 368
1hpm-A 0.22 33 PO4 14, 15, 73, 149, 177, 231
Ma-Hsc70 1yag-A 0.96 146 ATP 12, 13, 14, 15, 17, 201, 202, 203, 204, 230, 268, 271, 272, 338, 339, 340, 342, 343, 366
3l4i-B 0.23 32 PO4 12, 13, 71, 147, 175, 229
  1. Predicted by COACH analysis, based on the C-score of the structural alignment between the query structure and known structures in the PDB. C-score is the confidence score of the prediction, where a higher score (min-0, max-1) indicates a more reliable prediction; Clust. size is the total number of templates in a cluster; ligand is the name of a possible binding ligand