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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 | 0.49 | 1bfcA | 0.581 | 0.75 | 0.447 | 0.591 | 1.47 | UUU | complex1.pdb.gz | 91,92,166,184,185,190,199,200,201 |
| 2 | 0.48 | 3cu1D | 0.588 | 1.15 | 0.339 | 0.611 | 1.28 | SCR | complex2.pdb.gz | 92,184,185,186,190,194,196,199 |
| 3 | 0.27 | 1hknC | 0.584 | 0.97 | 0.328 | 0.601 | 1.05 | N2M | complex3.pdb.gz | 92,185,191,198,199,200,201 |
| 4 | 0.27 | 2hw9B | 0.598 | 1.44 | 0.314 | 0.625 | 0.92 | SO4 | complex4.pdb.gz | 184,185,190,194 |
| 5 | 0.17 | 2k8rA | 0.508 | 2.57 | 0.290 | 0.596 | 1.02 | IHP | complex5.pdb.gz | 190,193,194,197,199,201 |
| 6 | 0.07 | 1iil0 | 0.600 | 1.20 | 0.431 | 0.620 | 1.43 | III | complex6.pdb.gz | 89,91,93,97,110,120,121,122,123,124,125,128,129,138,153,161,163,164,166,167,168,169,205,207 |
| 7 | 0.07 | 1ihk0 | 0.602 | 1.75 | 0.398 | 0.635 | 1.19 | III | complex7.pdb.gz | 84,86,89,91,97,112,166,167,205,206,207 |
| 8 | 0.06 | 1e0o0 | 0.581 | 0.88 | 0.331 | 0.596 | 1.33 | III | complex8.pdb.gz | 89,93,97,110,125,162,163,165,167,168,169,205,206,207 |
| 9 | 0.06 | 1e0oC | 0.585 | 0.92 | 0.328 | 0.601 | 1.18 | UUU | complex9.pdb.gz | 184,191,193,194 |
| 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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