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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 | 0.05 | 1ea0B | 0.328 | 7.82 | 0.050 | 0.551 | 0.27 | OMT | complex1.pdb.gz | 96,97,98,126,127 |
| 2 | 0.01 | 2vz9B | 0.335 | 7.89 | 0.045 | 0.562 | 0.11 | NAP | complex2.pdb.gz | 75,103,250,253 |
| 3 | 0.01 | 1lm1A | 0.330 | 7.52 | 0.034 | 0.543 | 0.15 | FMN | complex3.pdb.gz | 97,98,129 |
| 4 | 0.01 | 1lf9A | 0.341 | 7.31 | 0.044 | 0.547 | 0.14 | ACR | complex4.pdb.gz | 96,103,126 |
| 5 | 0.01 | 1ofeA | 0.338 | 7.94 | 0.031 | 0.576 | 0.24 | ONL | complex5.pdb.gz | 97,99,102 |
| 6 | 0.01 | 2vdcB | 0.341 | 7.79 | 0.034 | 0.586 | 0.17 | FMN | complex6.pdb.gz | 97,127,208 |
| 7 | 0.01 | 1xkwA | 0.334 | 6.98 | 0.035 | 0.516 | 0.11 | UUU | complex7.pdb.gz | 68,128,146 |
| 8 | 0.01 | 1ofdA | 0.303 | 7.50 | 0.029 | 0.494 | 0.14 | FMN | complex8.pdb.gz | 75,95,96,107,208,231 |
| 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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