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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 | 2xm3A | 0.605 | 3.23 | 0.069 | 0.870 | 0.36 | QNA | Download | 73,76,77,80,81,82,84,85,94,95,96 |
| 2 | 0.01 | 2xqcD | 0.607 | 3.38 | 0.079 | 0.890 | 0.17 | QNA | Download | 12,14,43,45 |
| 3 | 0.01 | 2xqcA | 0.607 | 3.27 | 0.068 | 0.880 | 0.12 | QNA | Download | 5,44,46 |
| 4 | 0.01 | 3ieuA | 0.618 | 2.76 | 0.051 | 0.840 | 0.22 | GDP | Download | 37,61,62,63 |
| 5 | 0.01 | 1qaxB | 0.627 | 3.14 | 0.043 | 0.940 | 0.17 | NAD | Download | 26,27,29,37 |
| 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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