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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 | 0.64 | 2i13A | 0.948 | 0.93 | 0.631 | 1.000 | 1.25 | QNA | complex1.pdb.gz | 10,12,17,20,21,24,38,40,42,45,49,52,70,73,77,80,96,98,101,105,108 |
| 2 | 0.35 | 1a1fA | 0.705 | 0.88 | 0.378 | 0.739 | 1.28 | QNA | complex2.pdb.gz | 44,59,71,72,103 |
| 3 | 0.33 | 1meyC | 0.696 | 1.02 | 0.634 | 0.739 | 1.65 | QNA | complex3.pdb.gz | 10,14,17,20,21,24,38,40,42,45,48,49,66,68,70,73,76,77,80 |
| 4 | 0.33 | 2jp9A | 0.705 | 2.65 | 0.359 | 0.883 | 0.88 | QNA | complex4.pdb.gz | 31,42,44,47,48,72,75,87,99,100,104 |
| 5 | 0.30 | 1tf3A | 0.604 | 2.36 | 0.393 | 0.757 | 0.99 | QNA | complex5.pdb.gz | 51,52,57,66,67,68,69,73,76,77,80,85,95,96,97,101,104,105,107,108 |
| 6 | 0.18 | 1meyF | 0.717 | 1.11 | 0.619 | 0.757 | 1.39 | UUU | complex6.pdb.gz | 16,19,31,43,44,70,72 |
| 7 | 0.18 | 2i13B | 0.915 | 1.25 | 0.631 | 1.000 | 1.27 | QNA | complex7.pdb.gz | 10,12,13,14,17,21,24,40,44,45,48,49,52,66,68,70,73,77,80,96,98,101,105,108 |
| 8 | 0.10 | 1ubdC | 0.760 | 2.44 | 0.390 | 0.946 | 1.15 | QNA | complex8.pdb.gz | 70,71,72,76,100,103 |
| 9 | 0.07 | 1p47B | 0.702 | 0.91 | 0.366 | 0.739 | 1.43 | QNA | complex9.pdb.gz | 29,40,42,48,49,52,66,69,70,73,77,80,94,96,98,101,104,105,108 |
| 10 | 0.06 | 2jp9A | 0.705 | 2.65 | 0.359 | 0.883 | 1.11 | QNA | complex10.pdb.gz | 12,14,17,20,21,24,38,40,41,42,45,49,52,68,70,73,76 |
| 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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