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Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues |
| 1 | 0.51 | 3ng3C | 0.946 | 0.81 | 0.407 | 0.964 | 1.75 | UNL | Download | 12,14,39,62,91,153,155,156,184,185 |
| 2 | 0.41 | 1ub3A | 0.934 | 0.75 | 0.408 | 0.951 | 1.68 | HPD | Download | 14,39,62,153,156,157,184,185,186,188,205,206,207 |
| 3 | 0.25 | 3q2dB | 0.853 | 1.64 | 0.294 | 0.905 | 1.12 | 3NY | Download | 39,60,92,124,182,184,205 |
| 4 | 0.14 | 1o0y0 | 0.989 | 0.47 | 0.457 | 0.996 | 1.57 | III | Download | 14,16,17,18,19,20,41,42,43,44,66,67,69,70,71,73,74,78,81,84,85,95,96,97,98,106,131,158 |
| Click on the radio buttons to visualize predicted binding site and residues. |
(a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction. |
(b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
| (c) | TM-score is a measure of global structural similarity between query and template protein. |
(d) | RMSDa the RMSD between residues that are structurally aligned by TM-align. |
(e) | IDENa is the percentage sequence identity in the structurally aligned region. |
(f) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein. |
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