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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 | 0.57 | 1z8gA | 0.896 | 2.27 | 0.416 | 0.954 | 1.24 | III | complex1.pdb.gz | 77,122,124,209,225,226,227,228,229,231,250,251,252,253,254,255,262 |
| 2 | 0.51 | 1nt1A | 0.824 | 1.57 | 0.336 | 0.861 | 1.13 | T76 | complex2.pdb.gz | 77,208,226,231,249,250,251,252,254,255,262,263 |
| 3 | 0.49 | 1uvsH | 0.778 | 1.59 | 0.352 | 0.811 | 1.20 | I11 | complex3.pdb.gz | 123,225,226,227,228,249,250,251,252,254,255 |
| 4 | 0.47 | 1a0hE | 0.803 | 1.62 | 0.353 | 0.839 | 1.16 | 0G6 | complex4.pdb.gz | 77,122,225,226,229,231,250,251,252,254 |
| 5 | 0.35 | 1nroH | 0.800 | 1.68 | 0.340 | 0.839 | 1.15 | III | complex5.pdb.gz | 77,123,170,171,231,250,252,254 |
| 6 | 0.34 | 1no9H | 0.800 | 1.52 | 0.343 | 0.832 | 1.23 | 4ND | complex6.pdb.gz | 77,226,227,231,249,250,251 |
| 7 | 0.33 | 1umaH | 0.800 | 1.53 | 0.343 | 0.832 | 1.16 | IN2 | complex7.pdb.gz | 77,225,226,227,228,231,254 |
| 8 | 0.33 | 1wbgB | 0.792 | 1.55 | 0.346 | 0.825 | 1.00 | L03 | complex8.pdb.gz | 225,226,249,251,262,263,264 |
| 9 | 0.33 | 2c93B | 0.794 | 1.50 | 0.346 | 0.825 | 0.91 | C4M | complex9.pdb.gz | 77,228,251,252 |
| 10 | 0.23 | 3p70B | 0.796 | 1.54 | 0.345 | 0.829 | 1.70 | NA | complex10.pdb.gz | 64,65,73,74,232,233,234,245,248 |
| 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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