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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 | 0.312 | 7.20 | 0.042 | 0.531 | 0.29 | DM2 | complex1.pdb.gz | 120,121,141,143 |
| 2 | 0.01 | 2gagA | 0.327 | 7.16 | 0.039 | 0.555 | 0.32 | FMN | complex2.pdb.gz | 136,138,144 |
| 3 | 0.01 | 1kk8A | 0.286 | 7.27 | 0.048 | 0.495 | 0.11 | UUU | complex3.pdb.gz | 137,143,144,145 |
| 4 | 0.01 | 1dflB | 0.291 | 6.81 | 0.026 | 0.471 | 0.35 | ADP | complex4.pdb.gz | 139,141,142,143 |
| 5 | 0.01 | 1kqmA | 0.281 | 6.79 | 0.030 | 0.452 | 0.17 | ANP | complex5.pdb.gz | 115,116,117,134,135,136 |
| 6 | 0.01 | 2np0A | 0.304 | 6.97 | 0.016 | 0.500 | 0.16 | III | complex6.pdb.gz | 194,195,197,200,204 |
| 7 | 0.01 | 1kwoA | 0.269 | 6.73 | 0.045 | 0.429 | 0.23 | AGS | complex7.pdb.gz | 132,133,134,142,143,144 |
| 8 | 0.01 | 2otgA | 0.309 | 7.02 | 0.047 | 0.509 | 0.15 | ADP | complex8.pdb.gz | 116,117,140,141,142,143,144,145 |
| 9 | 0.01 | 1f31A | 0.321 | 7.15 | 0.030 | 0.543 | 0.36 | UUU | complex9.pdb.gz | 125,143,145 |
| 10 | 0.01 | 2uvaG | 0.339 | 7.41 | 0.035 | 0.591 | 0.11 | FMN | complex10.pdb.gz | 134,137,142,143 |
| 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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