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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 | 3cmvA | 0.239 | 9.49 | 0.045 | 0.369 | 0.17 | ANP | complex1.pdb.gz | 37,38,40,41,42 |
| 2 | 0.01 | 2uv8G | 0.329 | 9.65 | 0.036 | 0.520 | 0.10 | FMN | complex2.pdb.gz | 20,34,35,39,43 |
| 3 | 0.01 | 1i1eA | 0.248 | 9.80 | 0.031 | 0.395 | 0.26 | DM2 | complex3.pdb.gz | 34,36,39,41 |
| 4 | 0.01 | 3cmvE | 0.231 | 9.66 | 0.045 | 0.363 | 0.29 | ANP | complex4.pdb.gz | 31,32,33 |
| 5 | 0.01 | 1xmvA | 0.109 | 6.52 | 0.047 | 0.140 | 0.18 | ADP | complex5.pdb.gz | 34,36,38,76,77 |
| 6 | 0.01 | 2vkzI | 0.329 | 9.84 | 0.032 | 0.527 | 0.11 | FMN | complex6.pdb.gz | 26,31,37,40,71,72 |
| 7 | 0.01 | 2uvcG | 0.325 | 9.73 | 0.033 | 0.518 | 0.11 | FMN | complex7.pdb.gz | 33,39,42 |
| 8 | 0.01 | 3cmvF | 0.227 | 9.92 | 0.031 | 0.367 | 0.21 | ANP | complex8.pdb.gz | 36,37,38,39,40,41 |
| 9 | 0.01 | 1g9aA | 0.259 | 9.19 | 0.036 | 0.392 | 0.14 | BAB | complex9.pdb.gz | 32,33,36,37,38,72 |
| 10 | 0.01 | 2uvaG | 0.320 | 9.47 | 0.028 | 0.499 | 0.12 | FMN | complex10.pdb.gz | 40,41,44 |
| 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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