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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 | 1i1eA | 0.325 | 8.20 | 0.042 | 0.563 | 0.18 | DM2 | complex1.pdb.gz | 163,177,180 |
| 2 | 0.01 | 1t080 | 0.287 | 7.13 | 0.078 | 0.437 | 0.16 | III | complex2.pdb.gz | 184,185,188 |
| 3 | 0.01 | 3ouwA | 0.289 | 6.87 | 0.040 | 0.434 | 0.16 | III | complex3.pdb.gz | 4,25,77 |
| 4 | 0.01 | 1qu3A | 0.283 | 8.01 | 0.026 | 0.469 | 0.10 | MRC | complex4.pdb.gz | 150,166,167,168,169,184,185,186 |
| 5 | 0.01 | 2nm1A | 0.191 | 7.09 | 0.036 | 0.293 | 0.15 | III | complex5.pdb.gz | 166,167,168,169,174,176,177 |
| 6 | 0.01 | 2np0A | 0.322 | 7.99 | 0.034 | 0.543 | 0.11 | III | complex6.pdb.gz | 147,148,158,159 |
| 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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