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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 | 1ng9A | 0.364 | 6.38 | 0.054 | 0.609 | 0.11 | QNA | complex1.pdb.gz | 86,87,104 |
| 2 | 0.01 | 2d10B | 0.241 | 5.96 | 0.021 | 0.398 | 0.21 | III | complex2.pdb.gz | 74,87,88,92,105 |
| 3 | 0.01 | 2emsA | 0.242 | 5.97 | 0.048 | 0.405 | 0.13 | III | complex3.pdb.gz | 87,88,92,93,94,95,96,97 |
| 4 | 0.01 | 2d11A | 0.238 | 5.86 | 0.049 | 0.395 | 0.18 | III | complex4.pdb.gz | 86,113,116 |
| 5 | 0.01 | 2r6fA | 0.322 | 6.53 | 0.036 | 0.568 | 0.16 | ADP | complex5.pdb.gz | 101,103,104 |
| 6 | 0.01 | 1e3mA | 0.370 | 6.21 | 0.026 | 0.626 | 0.21 | ADP | complex6.pdb.gz | 104,105,106 |
| 7 | 0.01 | 1wbbA | 0.366 | 6.45 | 0.058 | 0.613 | 0.20 | ADP | complex7.pdb.gz | 88,93,94,100,101,102 |
| 8 | 0.01 | 1ng9B | 0.362 | 6.65 | 0.040 | 0.644 | 0.30 | ADP | complex8.pdb.gz | 100,102,103,104,105,106 |
| 9 | 0.01 | 1j19A | 0.241 | 5.79 | 0.048 | 0.395 | 0.13 | III | complex9.pdb.gz | 79,80,81,82,87 |
| 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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