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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 | 2c1m0 | 0.302 | 5.93 | 0.061 | 0.392 | 0.24 | III | complex1.pdb.gz | 11,17,21,52,138,148,149,152,155,157,161,163,164,165 |
| 2 | 0.01 | 3kndA | 0.301 | 5.79 | 0.064 | 0.386 | 0.16 | III | complex2.pdb.gz | 11,17,19,20,54,55 |
| 3 | 0.01 | 2bptA | 0.307 | 6.98 | 0.038 | 0.425 | 0.25 | III | complex3.pdb.gz | 10,11,14,15,46 |
| 4 | 0.01 | 1q1sC | 0.302 | 6.12 | 0.059 | 0.396 | 0.16 | III | complex4.pdb.gz | 13,14,53,57,80,84,88,89,120,121 |
| 5 | 0.01 | 2ie40 | 0.364 | 6.16 | 0.060 | 0.478 | 0.19 | III | complex5.pdb.gz | 58,91,92,125 |
| 6 | 0.01 | 3ciyA | 0.249 | 7.62 | 0.049 | 0.364 | 0.29 | UUU | complex6.pdb.gz | 15,56,90 |
| 7 | 0.01 | 3btrC | 0.299 | 5.81 | 0.064 | 0.384 | 0.20 | III | complex7.pdb.gz | 14,17,21,25,43,78 |
| 8 | 0.01 | 3izaA | 0.327 | 8.64 | 0.053 | 0.520 | 0.14 | ATP | complex8.pdb.gz | 13,16,31,32,33,34 |
| 9 | 0.01 | 3tpmA | 0.299 | 5.81 | 0.067 | 0.385 | 0.16 | III | complex9.pdb.gz | 16,56,122 |
| 10 | 0.01 | 3q5uA | 0.299 | 5.92 | 0.064 | 0.387 | 0.24 | III | complex10.pdb.gz | 57,93,96,100 |
| 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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