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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 | 2w74B | 0.349 | 7.56 | 0.046 | 0.582 | 0.13 | ATP | complex1.pdb.gz | 219,230,231 |
| 2 | 0.01 | 2f7rA | 0.353 | 7.34 | 0.028 | 0.569 | 0.13 | SK3 | complex2.pdb.gz | 230,258,259,260 |
| 3 | 0.01 | 1b25A | 0.345 | 7.20 | 0.043 | 0.549 | 0.11 | SF4 | complex3.pdb.gz | 232,332,333 |
| 4 | 0.01 | 1r34A | 0.352 | 7.54 | 0.043 | 0.580 | 0.11 | LKS | complex4.pdb.gz | 168,269,270,271 |
| 5 | 0.01 | 2w00A | 0.364 | 7.29 | 0.052 | 0.590 | 0.13 | ATP | complex5.pdb.gz | 263,264,289 |
| 6 | 0.01 | 5acnA | 0.350 | 7.72 | 0.045 | 0.596 | 0.15 | F3S | complex6.pdb.gz | 232,257,258 |
| 7 | 0.01 | 3bvtA | 0.355 | 7.44 | 0.027 | 0.577 | 0.13 | WZ1 | complex7.pdb.gz | 230,258,259,260 |
| 8 | 0.01 | 2y3tA | 0.359 | 7.36 | 0.058 | 0.586 | 0.13 | ATP | complex8.pdb.gz | 255,263,264,265 |
| 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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