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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 | 1zvzA | 0.294 | 5.21 | 0.040 | 0.534 | 0.21 | III | Download | 10,11,14,93 |
| 2 | 0.01 | 3cr3A | 0.467 | 4.87 | 0.032 | 0.836 | 0.21 | ADP | Download | 7,49,51,54,132,133,134 |
| 3 | 0.01 | 1azw0 | 0.446 | 5.03 | 0.042 | 0.794 | 0.11 | III | Download | 45,48,52 |
| 4 | 0.01 | 1syqA | 0.314 | 5.39 | 0.038 | 0.589 | 0.19 | III | Download | 46,47,50,53,54,57,60 |
| 5 | 0.01 | 3s90B | 0.333 | 4.55 | 0.036 | 0.562 | 0.18 | III | Download | 43,47,50,53,56,57,60,63 |
| 6 | 0.01 | 2ibfA | 0.323 | 5.55 | 0.040 | 0.603 | 0.20 | III | Download | 43,46,49,50,53,54,57,93,96 |
| 7 | 0.01 | 1rke1 | 0.387 | 4.67 | 0.057 | 0.623 | 0.20 | III | Download | 68,69,72,94,97,98,101 |
| 8 | 0.01 | 1t01A | 0.276 | 5.67 | 0.031 | 0.569 | 0.22 | III | Download | 53,54,57,60,61,89,93,96,100,105 |
| 9 | 0.01 | 1ydiA | 0.301 | 4.65 | 0.048 | 0.486 | 0.18 | III | Download | 6,7,10,13,50,51 |
| 10 | 0.01 | 2gdcA | 0.294 | 4.56 | 0.048 | 0.479 | 0.21 | III | Download | 50,54,57,65,95,96 |
| 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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