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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 | 3ho8A | 0.199 | 7.33 | 0.030 | 0.365 | 0.13 | COA | complex1.pdb.gz | 283,284,286 |
| 2 | 0.01 | 3ho8C | 0.212 | 7.20 | 0.009 | 0.367 | 0.11 | COA | complex2.pdb.gz | 260,262,267,284 |
| 3 | 0.01 | 2vz9A | 0.298 | 7.07 | 0.054 | 0.517 | 0.10 | NAP | complex3.pdb.gz | 257,258,259,284,285 |
| 4 | 0.01 | 3ho8B | 0.217 | 6.42 | 0.016 | 0.351 | 0.17 | COA | complex4.pdb.gz | 259,260,285 |
| 5 | 0.01 | 3bg5C | 0.270 | 7.27 | 0.030 | 0.483 | 0.16 | ATP | complex5.pdb.gz | 244,245,284,287,289 |
| 6 | 0.01 | 2v0jA | 0.275 | 6.69 | 0.026 | 0.458 | 0.17 | H2U | complex6.pdb.gz | 245,259,283,285 |
| 7 | 0.01 | 2v0lA | 0.245 | 6.12 | 0.062 | 0.383 | 0.16 | URI | complex7.pdb.gz | 260,282,284 |
| 8 | 0.01 | 2v0kA | 0.245 | 5.95 | 0.053 | 0.378 | 0.22 | UDP | complex8.pdb.gz | 260,267,285 |
| 9 | 0.01 | 2iopB | 0.282 | 6.40 | 0.028 | 0.456 | 0.24 | ADP | complex9.pdb.gz | 227,231,239,241 |
| 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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