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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 | 0.01 | 1hw9B | 0.501 | 4.22 | 0.069 | 0.738 | 0.17 | ADP | Download | 100,101,102,105,106 |
| 2 | 0.01 | 1hwkA | 0.502 | 4.31 | 0.068 | 0.744 | 0.22 | ADP | Download | 88,89,90,92,94 |
| 3 | 0.01 | 1qayB | 0.508 | 4.40 | 0.075 | 0.750 | 0.21 | NAD | Download | 48,49,58,85 |
| 4 | 0.01 | 1hw8D | 0.500 | 4.22 | 0.069 | 0.738 | 0.16 | ADP | Download | 88,90,91,94,95,108 |
| 5 | 0.01 | 1hbmE | 0.498 | 4.91 | 0.052 | 0.811 | 0.21 | UUU | Download | 89,90,125 |
| 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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