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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 | 1ofdB | 0.329 | 8.38 | 0.052 | 0.556 | 0.25 | F3S | complex1.pdb.gz | 54,55,56,84,85 |
| 2 | 0.01 | 1ofdA | 0.328 | 8.15 | 0.054 | 0.539 | 0.32 | F3S | complex2.pdb.gz | 17,18,19,20,21,22,23 |
| 3 | 0.01 | 1xmsA | 0.154 | 6.48 | 0.057 | 0.219 | 0.16 | ANP | complex3.pdb.gz | 1,16,42 |
| 4 | 0.01 | 3cmvD | 0.294 | 8.32 | 0.024 | 0.495 | 0.18 | ANP | complex4.pdb.gz | 16,17,43 |
| 5 | 0.01 | 3cmvE | 0.295 | 7.67 | 0.018 | 0.466 | 0.18 | ANP | complex5.pdb.gz | 15,24,31,34 |
| 6 | 0.01 | 3cmvF | 0.300 | 7.70 | 0.023 | 0.475 | 0.18 | ANP | complex6.pdb.gz | 13,14,15,52 |
| 7 | 0.01 | 3cmvH | 0.302 | 7.68 | 0.025 | 0.477 | 0.14 | ANP | complex7.pdb.gz | 18,19,20,22,23 |
| 8 | 0.01 | 3k57A | 0.296 | 7.98 | 0.050 | 0.477 | 0.19 | DTP | complex8.pdb.gz | 34,73,88 |
| 9 | 0.01 | 1xmvA | 0.172 | 6.78 | 0.065 | 0.252 | 0.16 | ADP | complex9.pdb.gz | 15,16,35,38 |
| 10 | 0.01 | 1llzA | 0.329 | 8.49 | 0.047 | 0.551 | 0.13 | FMN | complex10.pdb.gz | 16,134,135,136 |
| 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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