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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 | 2dqbC | 0.513 | 4.09 | 0.112 | 0.629 | 0.36 | MG | Download | 49,171,176 |
| 2 | 0.01 | 3sl8C | 0.390 | 5.44 | 0.092 | 0.542 | 0.26 | JN7 | Download | 56,60,63,64,67 |
| 3 | 0.01 | 3bjcA | 0.379 | 5.61 | 0.105 | 0.542 | 0.25 | WAN | Download | 89,90,92 |
| 4 | 0.01 | 3sl5C | 0.392 | 5.48 | 0.101 | 0.545 | 0.15 | J25 | Download | 36,53,57,93,94 |
| 5 | 0.01 | 1xlxA | 0.396 | 5.54 | 0.092 | 0.557 | 0.23 | CIO | Download | 88,89,92 |
| 6 | 0.01 | 1udtA | 0.397 | 5.34 | 0.127 | 0.545 | 0.12 | VIA | Download | 7,174,176 |
| 7 | 0.01 | 1y2dA | 0.391 | 5.36 | 0.105 | 0.535 | 0.29 | 4DE | Download | 90,118,124 |
| 8 | 0.01 | 1y2jA | 0.396 | 5.64 | 0.080 | 0.564 | 0.15 | 7DE | Download | 39,55,58,62,92 |
| 9 | 0.01 | 1t9sA | 0.402 | 5.15 | 0.123 | 0.547 | 0.13 | 5GP | Download | 42,50,53,176,177 |
| 10 | 0.01 | 3tgeA | 0.409 | 5.08 | 0.127 | 0.552 | 0.23 | TGE | Download | 30,31,54,55,58,59,62 |
| 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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