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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 | 0.02 | 3s29E | 0.366 | 7.01 | 0.071 | 0.587 | 0.13 | UDP | complex1.pdb.gz | 21,25,28 |
| 2 | 0.01 | 3cmvA | 0.313 | 7.47 | 0.026 | 0.531 | 0.19 | ANP | complex2.pdb.gz | 21,22,23,36 |
| 3 | 0.01 | 3cmvD | 0.293 | 7.61 | 0.027 | 0.499 | 0.19 | ANP | complex3.pdb.gz | 21,22,23,36 |
| 4 | 0.01 | 3cmvD | 0.293 | 7.61 | 0.027 | 0.499 | 0.20 | ANP | complex4.pdb.gz | 21,24,25,26,27 |
| 5 | 0.01 | 3s28C | 0.365 | 6.88 | 0.064 | 0.574 | 0.12 | UUU | complex5.pdb.gz | 58,59,60,63 |
| 6 | 0.01 | 3cmxA | 0.337 | 7.74 | 0.026 | 0.587 | 0.14 | ALF | complex6.pdb.gz | 20,23,24 |
| 7 | 0.01 | 2nm1A | 0.228 | 7.62 | 0.034 | 0.390 | 0.18 | III | complex7.pdb.gz | 22,96,97 |
| 8 | 0.01 | 3cmvE | 0.263 | 7.60 | 0.032 | 0.445 | 0.14 | ANP | complex8.pdb.gz | 21,24,26 |
| 9 | 0.01 | 3cmvF | 0.269 | 7.17 | 0.050 | 0.443 | 0.19 | ANP | complex9.pdb.gz | 20,22,23,24,25,37 |
| 10 | 0.01 | 3s27A | 0.364 | 7.00 | 0.077 | 0.582 | 0.11 | FRU | complex10.pdb.gz | 19,20,21,22,23,39 |
| 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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