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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 | 0.70 | 1iaqB | 0.478 | 1.08 | 0.351 | 0.490 | 1.54 | GNP | complex1.pdb.gz | 100,101,102,103,104,105,106,116,117,147,203,204,206,207,233,234,235 |
| 2 | 0.39 | 1nvvR | 0.477 | 2.12 | 0.321 | 0.510 | 1.57 | PO4 | complex2.pdb.gz | 101,102,103,104,105,146,147 |
| 3 | 0.38 | 1crqA | 0.506 | 1.69 | 0.321 | 0.536 | 1.38 | GDP | complex3.pdb.gz | 100,101,103,104,105,106,206,233,234,235 |
| 4 | 0.36 | 1pllA | 0.475 | 1.51 | 0.325 | 0.500 | 1.23 | GDP | complex4.pdb.gz | 102,103,105,106,116,121,147,204,206,232,233 |
| 5 | 0.34 | 1xd2A | 0.523 | 1.06 | 0.321 | 0.536 | 1.19 | PO4 | complex5.pdb.gz | 100,104,120,121,146,147,148 |
| 6 | 0.19 | 1agpA | 0.519 | 1.20 | 0.321 | 0.536 | 0.97 | MG | complex6.pdb.gz | 104,105,144,145 |
| 7 | 0.06 | 3rslA | 0.490 | 1.09 | 0.342 | 0.503 | 1.60 | RSF | complex7.pdb.gz | 99,100,173,175,176 |
| 8 | 0.05 | 2uzi1 | 0.519 | 1.20 | 0.321 | 0.536 | 1.39 | III | complex8.pdb.gz | 105,113,115,117,120,121,123,124,125,126,127 |
| 9 | 0.05 | 5p210 | 0.518 | 1.26 | 0.321 | 0.536 | 1.18 | III | complex9.pdb.gz | 215,219,223,226,227,229,230,231,242,249,254 |
| 10 | 0.04 | 2bcg1 | 0.535 | 1.98 | 0.262 | 0.565 | 0.89 | III | complex10.pdb.gz | 126,127,143,144,146,155,156,157,158,160,192 |
| 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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