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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 | 2eauA | 0.274 | 6.44 | 0.037 | 0.421 | 0.18 | CZA | complex1.pdb.gz | 184,257,303,304,308 |
| 2 | 0.01 | 3namA | 0.265 | 7.15 | 0.028 | 0.455 | 0.12 | OTK | complex2.pdb.gz | 255,258,309,310 |
| 3 | 0.01 | 2agvA | 0.260 | 7.38 | 0.037 | 0.455 | 0.31 | BHQ | complex3.pdb.gz | 303,304,307,308 |
| 4 | 0.01 | 2eatA | 0.262 | 7.24 | 0.028 | 0.455 | 0.16 | CZA | complex4.pdb.gz | 185,303,304,305,308 |
| 5 | 0.01 | 2easA | 0.260 | 7.19 | 0.034 | 0.445 | 0.18 | CZA | complex5.pdb.gz | 185,257,303,304,305,307,308 |
| 6 | 0.01 | 3ar3A | 0.294 | 7.61 | 0.029 | 0.533 | 0.27 | PTY | complex6.pdb.gz | 256,307,323,324 |
| 7 | 0.01 | 1ea0B | 0.360 | 7.41 | 0.042 | 0.628 | 0.11 | FMN | complex7.pdb.gz | 255,256,306,307 |
| 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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