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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 | 1n03A | 0.139 | 6.48 | 0.063 | 0.190 | 0.26 | ADP | complex1.pdb.gz | 466,467,469,470,471 |
| 2 | 0.01 | 2y0pA | 0.183 | 8.00 | 0.037 | 0.282 | 0.18 | ACO | complex2.pdb.gz | 470,471,478 |
| 3 | 0.01 | 2xt6A | 0.254 | 8.77 | 0.028 | 0.416 | 0.12 | TPP | complex3.pdb.gz | 438,462,463,469,470,471 |
| 4 | 0.01 | 2uvaI | 0.306 | 8.92 | 0.035 | 0.515 | 0.10 | FMN | complex4.pdb.gz | 471,472,474,475 |
| 5 | 0.01 | 1xmvA | 0.127 | 6.27 | 0.029 | 0.170 | 0.12 | ADP | complex5.pdb.gz | 470,471,522 |
| 6 | 0.01 | 3cmvF | 0.222 | 8.20 | 0.037 | 0.348 | 0.13 | ANP | complex6.pdb.gz | 469,470,471 |
| 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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