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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 | 0.07 | 1urcD | 0.447 | 4.90 | 0.049 | 0.705 | 0.26 | III | complex1.pdb.gz | 14,44,80 |
| 2 | 0.01 | 3qhwD | 0.447 | 4.84 | 0.040 | 0.711 | 0.25 | III | complex2.pdb.gz | 12,45,46 |
| 3 | 0.01 | 1k9fA | 0.353 | 5.79 | 0.054 | 0.637 | 0.11 | UUU | complex3.pdb.gz | 44,46,48,53,89 |
| 4 | 0.01 | 3p5rB | 0.423 | 5.32 | 0.064 | 0.732 | 0.11 | FGG | complex4.pdb.gz | 15,46,47 |
| 5 | 0.01 | 2uueB | 0.445 | 4.86 | 0.054 | 0.705 | 0.14 | GVC | complex5.pdb.gz | 13,23,45,47 |
| 6 | 0.01 | 1h27B | 0.450 | 4.94 | 0.037 | 0.711 | 0.22 | III | complex6.pdb.gz | 15,16,43,46,51 |
| 7 | 0.01 | 1ol1D | 0.448 | 4.99 | 0.043 | 0.716 | 0.25 | III | complex7.pdb.gz | 90,91,94 |
| 8 | 0.01 | 2wmaB | 0.448 | 4.78 | 0.031 | 0.695 | 0.20 | III | complex8.pdb.gz | 44,78,79 |
| 9 | 0.01 | 2x58A | 0.421 | 5.23 | 0.043 | 0.700 | 0.15 | COA | complex9.pdb.gz | 39,40,45,88 |
| 10 | 0.01 | 1h2u0 | 0.282 | 5.43 | 0.033 | 0.463 | 0.35 | III | complex10.pdb.gz | 43,44,85,86 |
| 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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