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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 | 3fg4C | 0.389 | 5.71 | 0.062 | 0.569 | 0.69 | ACD | complex1.pdb.gz | 119,123,154,155 |
| 2 | 0.01 | 2iulA | 0.359 | 6.70 | 0.042 | 0.585 | 0.54 | UUU | complex2.pdb.gz | 117,121,179,186 |
| 3 | 0.01 | 1ogyA | 0.374 | 7.36 | 0.061 | 0.671 | 0.42 | SF4 | complex3.pdb.gz | 104,105,118,122,182,183 |
| 4 | 0.01 | 1no3A | 0.470 | 5.88 | 0.063 | 0.687 | 0.43 | 4NC | complex4.pdb.gz | 118,122,123,125,154,330 |
| 5 | 0.01 | 3l3nA | 0.310 | 5.78 | 0.043 | 0.450 | 0.63 | UUU | complex5.pdb.gz | 120,124,180,182 |
| 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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