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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 | 1ofdA | 0.362 | 8.49 | 0.039 | 0.560 | 0.12 | FMN | complex1.pdb.gz | 503,504,507,553,563 |
| 2 | 0.01 | 2vdcA | 0.355 | 8.44 | 0.034 | 0.550 | 0.13 | FMN | complex2.pdb.gz | 554,555,556,563,564 |
| 3 | 0.01 | 1u6g0 | 0.369 | 8.50 | 0.055 | 0.575 | 0.27 | III | complex3.pdb.gz | 549,550,554 |
| 4 | 0.01 | 1o6pA | 0.267 | 5.42 | 0.075 | 0.333 | 0.37 | III | complex4.pdb.gz | 549,562,563 |
| 5 | 0.01 | 1lm1A | 0.358 | 8.44 | 0.043 | 0.552 | 0.13 | FMN | complex5.pdb.gz | 493,564,565,566 |
| 6 | 0.01 | 1w9c0 | 0.252 | 4.48 | 0.033 | 0.294 | 0.32 | III | complex6.pdb.gz | 17,18,33,34,48,58,59,62,63,65 |
| 7 | 0.01 | 1o6oB | 0.264 | 5.73 | 0.065 | 0.333 | 0.31 | III | complex7.pdb.gz | 82,85,86,90 |
| 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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