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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 | 3eubL | 0.218 | 8.54 | 0.042 | 0.322 | 0.16 | UUU | complex1.pdb.gz | 513,514,566,1101 |
| 2 | 0.01 | 1ofeA | 0.277 | 9.60 | 0.038 | 0.445 | 0.18 | ONL | complex2.pdb.gz | 492,493,559,560 |
| 3 | 0.01 | 1ofdA | 0.275 | 9.98 | 0.034 | 0.454 | 0.17 | FMN | complex3.pdb.gz | 916,917,918 |
| 4 | 0.01 | 3nvwC | 0.230 | 8.76 | 0.031 | 0.347 | 0.26 | GUN | complex4.pdb.gz | 548,552,556 |
| 5 | 0.01 | 1v97A | 0.274 | 9.76 | 0.034 | 0.442 | 0.29 | FES | complex5.pdb.gz | 484,486,490,491,492 |
| 6 | 0.01 | 2vdcB | 0.281 | 9.76 | 0.050 | 0.462 | 0.12 | FMN | complex6.pdb.gz | 489,490,491,561,857,1063 |
| 7 | 0.01 | 1n5xA | 0.275 | 9.68 | 0.039 | 0.445 | 0.10 | TEI | complex7.pdb.gz | 490,858,859 |
| 8 | 0.01 | 1ofdA | 0.275 | 9.98 | 0.034 | 0.454 | 0.29 | F3S | complex8.pdb.gz | 487,488,489,492,493,494,560 |
| 9 | 0.01 | 3eubC | 0.230 | 8.74 | 0.040 | 0.346 | 0.20 | UUU | complex9.pdb.gz | 415,513,552,564,1100 |
| 10 | 0.01 | 3sr6L | 0.225 | 8.70 | 0.037 | 0.339 | 0.17 | UUU | complex10.pdb.gz | 419,552,716,717 |
| 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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