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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 | 0.03 | 2yl4A | 0.705 | 2.76 | 0.112 | 0.908 | 0.84 | CDL | complex1.pdb.gz | 25,32,33,36,37,40,43,44,47 |
| 2 | 0.02 | 2i1xA | 0.538 | 4.15 | 0.073 | 0.832 | 0.88 | LI1 | complex2.pdb.gz | 17,21,22,24,25,107 |
| 3 | 0.02 | 2zzlA | 0.543 | 4.16 | 0.081 | 0.847 | 0.87 | SOG | complex3.pdb.gz | 84,85,102,105 |
| 4 | 0.02 | 1p8hA | 0.534 | 4.17 | 0.073 | 0.832 | 0.87 | LI1 | complex4.pdb.gz | 78,82,83,85,86,103,107 |
| 5 | 0.02 | 1jv6A | 0.531 | 4.52 | 0.057 | 0.870 | 1.01 | LI1 | complex5.pdb.gz | 16,19,20,23,24 |
| 6 | 0.01 | 2at9A | 0.498 | 4.10 | 0.068 | 0.794 | 0.86 | 2DP | complex6.pdb.gz | 17,20,21,24 |
| 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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