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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 | 2uusA | 0.500 | 1.42 | 0.377 | 0.526 | 1.46 | SCR | complex1.pdb.gz | 79,176,177,182,186,188,191,192 |
| 2 | 0.34 | 1hknC | 0.500 | 1.19 | 0.367 | 0.518 | 1.23 | N2M | complex2.pdb.gz | 79,177,183,190,191,192,193 |
| 3 | 0.31 | 3k1xB | 0.502 | 1.28 | 0.364 | 0.522 | 1.00 | DBX | complex3.pdb.gz | 79,177,192,193 |
| 4 | 0.30 | 1rmlA | 0.462 | 2.30 | 0.362 | 0.518 | 1.09 | NTS | complex4.pdb.gz | 174,187,188,189,192,194,195 |
| 5 | 0.25 | 2k8rA | 0.435 | 2.89 | 0.302 | 0.514 | 1.08 | IHP | complex5.pdb.gz | 182,186,189,191,193 |
| 6 | 0.06 | 1evt1 | 0.500 | 1.58 | 0.362 | 0.526 | 1.36 | III | complex6.pdb.gz | 76,78,80,82,95,106,108,109,110,111,114,147,149,154,155,197,198,199 |
| 7 | 0.06 | 1ihk0 | 0.546 | 2.07 | 0.349 | 0.579 | 1.20 | III | complex7.pdb.gz | 73,76,78,82,97,152,153,197,198,199,200,201 |
| 8 | 0.05 | 1e0oC | 0.497 | 1.52 | 0.364 | 0.522 | 0.91 | UUU | complex8.pdb.gz | 169,171,176,183,185,186 |
| 9 | 0.05 | 3k1xA | 0.502 | 1.31 | 0.364 | 0.522 | 0.83 | DBX | complex9.pdb.gz | 79,192,193 |
| 10 | 0.05 | 1ry70 | 0.515 | 2.10 | 0.313 | 0.559 | 1.21 | III | complex10.pdb.gz | 76,80,82,95,106,107,108,109,110,111,114,147,149,153,154,155,197,198,199 |
| 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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