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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 | 1c30A | 0.353 | 7.07 | 0.032 | 0.611 | 0.19 | ORN | complex1.pdb.gz | 139,218,225 |
| 2 | 0.01 | 2dqmA | 0.396 | 6.50 | 0.056 | 0.629 | 0.14 | BES | complex2.pdb.gz | 45,57,60,61,64 |
| 3 | 0.01 | 1ce8A | 0.354 | 7.34 | 0.023 | 0.632 | 0.17 | IMP | complex3.pdb.gz | 157,158,197,198 |
| 4 | 0.01 | 2uvaI | 0.402 | 6.75 | 0.052 | 0.650 | 0.13 | FMN | complex4.pdb.gz | 144,229,262 |
| 5 | 0.01 | 2zxgA | 0.392 | 6.51 | 0.051 | 0.627 | 0.11 | S23 | complex5.pdb.gz | 193,227,299 |
| 6 | 0.01 | 1jdbE | 0.364 | 7.35 | 0.059 | 0.652 | 0.18 | PO4 | complex6.pdb.gz | 147,154,196 |
| 7 | 0.01 | 1a9x3 | 0.359 | 7.05 | 0.054 | 0.616 | 0.16 | III | complex7.pdb.gz | 168,196,226 |
| 8 | 0.01 | 1ce8E | 0.351 | 7.31 | 0.020 | 0.624 | 0.23 | IMP | complex8.pdb.gz | 199,226,228 |
| 9 | 0.01 | 1a9x2 | 0.359 | 7.05 | 0.054 | 0.616 | 0.35 | III | complex9.pdb.gz | 195,199,200 |
| 10 | 0.01 | 1bxrA | 0.374 | 7.29 | 0.034 | 0.647 | 0.11 | ORN | complex10.pdb.gz | 341,342,343 |
| 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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