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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 | 1qmhB | 0.426 | 4.58 | 0.051 | 0.767 | 0.19 | DTO | complex1.pdb.gz | 35,36,39,40,41 |
| 2 | 0.01 | 3kqxB | 0.413 | 4.99 | 0.054 | 0.800 | 0.24 | CO3 | complex2.pdb.gz | 102,103,104 |
| 3 | 0.01 | 3g11A | 0.421 | 5.17 | 0.051 | 0.800 | 0.17 | P9C | complex3.pdb.gz | 3,72,73,74,75 |
| 4 | 0.01 | 3t8wA | 0.439 | 4.79 | 0.038 | 0.775 | 0.14 | DGZ | complex4.pdb.gz | 11,73,85,86,89 |
| 5 | 0.01 | 2gfxA | 0.427 | 5.05 | 0.052 | 0.800 | 0.18 | PMN | complex5.pdb.gz | 35,36,37,38,104 |
| 6 | 0.01 | 3kr5A | 0.416 | 4.93 | 0.083 | 0.817 | 0.18 | BEY | complex6.pdb.gz | 13,73,75,84,85,114 |
| 7 | 0.01 | 3bvvA | 0.420 | 4.97 | 0.035 | 0.792 | 0.20 | MPD | complex7.pdb.gz | 7,76,102 |
| 8 | 0.01 | 1mdbA | 0.412 | 5.12 | 0.042 | 0.767 | 0.15 | UUU | complex8.pdb.gz | 10,11,12,33,36,39 |
| 9 | 0.01 | 3kr4A | 0.441 | 4.61 | 0.038 | 0.767 | 0.18 | BES | complex9.pdb.gz | 12,73,115 |
| 10 | 0.01 | 1lfwA | 0.427 | 5.19 | 0.036 | 0.833 | 0.11 | AEP | complex10.pdb.gz | 83,102,103,118 |
| 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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