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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 | 0.02 | 1jpwC | 0.515 | 4.28 | 0.125 | 0.594 | 0.14 | III | complex1.pdb.gz | 140,181,183,209 |
| 2 | 0.01 | 1jpwA | 0.516 | 4.27 | 0.124 | 0.594 | 0.16 | III | complex2.pdb.gz | 84,107,111,179,180,206 |
| 3 | 0.01 | 3kndA | 0.463 | 3.82 | 0.123 | 0.518 | 0.18 | III | complex3.pdb.gz | 55,56,91,139 |
| 4 | 0.01 | 3rz9A | 0.461 | 3.88 | 0.121 | 0.518 | 0.21 | III | complex4.pdb.gz | 58,59,61,91,108,112,184 |
| 5 | 0.01 | 3l3qA | 0.462 | 3.88 | 0.121 | 0.517 | 0.20 | III | complex5.pdb.gz | 55,56,61,85,88,89,138,139,178,184 |
| 6 | 0.01 | 1un0B | 0.478 | 3.63 | 0.114 | 0.527 | 0.19 | III | complex6.pdb.gz | 85,88,107,109,113,178,182 |
| 7 | 0.01 | 1ejlI | 0.463 | 3.85 | 0.124 | 0.518 | 0.14 | III | complex7.pdb.gz | 137,178,182 |
| 8 | 0.01 | 3q5uA | 0.463 | 3.70 | 0.125 | 0.516 | 0.13 | III | complex8.pdb.gz | 86,88,179,182,205 |
| 9 | 0.01 | 2c1m0 | 0.464 | 3.64 | 0.125 | 0.517 | 0.19 | III | complex9.pdb.gz | 107,180,181,182,209,254 |
| 10 | 0.01 | 1un0A | 0.480 | 3.61 | 0.116 | 0.529 | 0.20 | III | complex10.pdb.gz | 81,84,107,109,110,176,179,180,183,205,207,208,212 |
| 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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