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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 | 2qf7A | 0.289 | 8.90 | 0.050 | 0.458 | 0.27 | COA | complex1.pdb.gz | 808,809,810,811,855,856,857,861,862 |
| 2 | 0.01 | 2vsqA | 0.269 | 9.15 | 0.031 | 0.439 | 0.25 | LEU | complex2.pdb.gz | 810,813,814,842 |
| 3 | 0.01 | 1d8tA | 0.141 | 6.67 | 0.052 | 0.192 | 0.21 | III | complex3.pdb.gz | 822,824,835,836,837,838,839,843 |
| 4 | 0.01 | 2vz9B | 0.246 | 9.40 | 0.032 | 0.411 | 0.11 | NAP | complex4.pdb.gz | 836,845,846,847 |
| 5 | 0.01 | 3tw6C | 0.296 | 8.28 | 0.056 | 0.451 | 0.15 | COA | complex5.pdb.gz | 843,844,845,846,848 |
| 6 | 0.01 | 3tw6A | 0.260 | 9.17 | 0.044 | 0.432 | 0.20 | COA | complex6.pdb.gz | 843,849,850,851,852,853 |
| 7 | 0.01 | 3tw6D | 0.266 | 8.75 | 0.040 | 0.422 | 0.15 | ADP | complex7.pdb.gz | 838,839,850 |
| 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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