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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 | 0.74 | 1meyF | 0.923 | 0.82 | 0.651 | 0.977 | 1.63 | QNA | complex1.pdb.gz | 11,13,14,15,18,21,22,25,43,46,49,50,53,67,71,74,77,78,81 |
| 2 | 0.63 | 1meyF | 0.923 | 0.82 | 0.651 | 0.977 | 1.21 | UUU | complex2.pdb.gz | 17,20,32,44,45,70 |
| 3 | 0.52 | 2jpaA | 0.899 | 1.27 | 0.476 | 0.965 | 1.06 | QNA | complex3.pdb.gz | 4,15,16,17,45,48,60,72,73,77 |
| 4 | 0.41 | 2jp9A | 0.865 | 1.62 | 0.476 | 0.965 | 1.11 | QNA | complex4.pdb.gz | 13,15,18,21,22,25,39,41,42,43,46,50,53,69,71,74,77 |
| 5 | 0.34 | 1tf3A | 0.717 | 2.48 | 0.341 | 0.977 | 1.03 | QNA | complex5.pdb.gz | 24,25,30,39,40,41,42,46,49,50,53,58,68,69,70,74,77,78,80,81 |
| 6 | 0.19 | 1meyC | 0.874 | 1.34 | 0.651 | 0.977 | 1.32 | UUU | complex6.pdb.gz | 45,48,60,72,73,77 |
| 7 | 0.11 | 2i13B | 0.933 | 0.82 | 0.619 | 0.988 | 0.99 | QNA | complex7.pdb.gz | 11,13,14,15,18,22,25,41,45,46,49,50,53,67,69,71,74,78,81 |
| 8 | 0.08 | 1p47A | 0.943 | 1.23 | 0.435 | 1.000 | 1.04 | QNA | complex8.pdb.gz | 43,44,45,71,72,73,76 |
| 9 | 0.07 | 1f2i0 | 0.614 | 1.56 | 0.406 | 0.706 | 1.22 | III | complex9.pdb.gz | 31,32,42,43,47,48,51,55,57 |
| 10 | 0.01 | 2ckjA | 0.446 | 4.72 | 0.073 | 0.882 | 0.82 | FES | complex10.pdb.gz | 36,37,38,41,48,51 |
| 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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