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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 | 1yv3A | 0.243 | 6.33 | 0.033 | 0.375 | 0.32 | BIT | complex1.pdb.gz | 50,209,212,217 |
| 2 | 0.01 | 2v1d0 | 0.320 | 5.81 | 0.039 | 0.459 | 0.11 | III | complex2.pdb.gz | 79,91,92,94,95,98,99,101,102,105,108,109 |
| 3 | 0.01 | 1w7jA | 0.251 | 7.49 | 0.046 | 0.454 | 0.10 | UUU | complex3.pdb.gz | 44,45,60 |
| 4 | 0.01 | 3bz7A | 0.244 | 6.50 | 0.033 | 0.380 | 0.22 | BL4 | complex4.pdb.gz | 54,55,56,93 |
| 5 | 0.01 | 2xo8A | 0.245 | 6.16 | 0.031 | 0.370 | 0.25 | H70 | complex5.pdb.gz | 212,215,216 |
| 6 | 0.01 | 1mmdA | 0.218 | 6.16 | 0.035 | 0.337 | 0.12 | UUU | complex6.pdb.gz | 44,45,46 |
| 7 | 0.01 | 2x9hA | 0.214 | 7.34 | 0.053 | 0.365 | 0.24 | KI9 | complex7.pdb.gz | 49,214,217,221 |
| 8 | 0.01 | 1jwyA | 0.234 | 6.38 | 0.023 | 0.360 | 0.29 | BGC | complex8.pdb.gz | 47,213,217 |
| 9 | 0.01 | 2h94A | 0.308 | 5.79 | 0.048 | 0.449 | 0.11 | FAD | complex9.pdb.gz | 52,60,213,214,217 |
| 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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