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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 | 0.71 | 1meyF | 0.705 | 1.04 | 0.583 | 0.737 | 1.66 | QNA | complex1.pdb.gz | 39,41,42,43,46,49,50,53,71,74,77,78,81,95,99,102,105,106,109 |
| 2 | 0.69 | 1meyF | 0.705 | 1.04 | 0.583 | 0.737 | 1.34 | UUU | complex2.pdb.gz | 48,60,72,73,99,101 |
| 3 | 0.50 | 1jk2A | 0.694 | 0.90 | 0.470 | 0.728 | 1.22 | QNA | complex3.pdb.gz | 45,52,71,73,100,101,104 |
| 4 | 0.34 | 1tf3A | 0.581 | 2.52 | 0.353 | 0.746 | 0.94 | QNA | complex4.pdb.gz | 58,67,68,69,70,74,77,78,81,86,96,97,98,102,105,106,109 |
| 5 | 0.24 | 2jp9A | 0.714 | 2.52 | 0.365 | 0.860 | 0.84 | QNA | complex5.pdb.gz | 32,43,44,45,48,49,73,76,88 |
| 6 | 0.16 | 1p47A | 0.713 | 1.24 | 0.459 | 0.746 | 1.49 | QNA | complex6.pdb.gz | 30,39,41,43,46,49,50,67,69,70,71,74,78,81,95,97,99,102,105,106,109 |
| 7 | 0.12 | 2i13B | 0.932 | 1.01 | 0.566 | 0.991 | 1.30 | QNA | complex7.pdb.gz | 11,13,14,15,18,22,25,41,45,46,49,50,53,67,69,71,74,78,81,97,99,102,106,109 |
| 8 | 0.11 | 1meyC | 0.673 | 1.22 | 0.578 | 0.728 | 1.25 | UUU | complex8.pdb.gz | 73,76,88,100,101,105 |
| 9 | 0.10 | 1p47A | 0.713 | 1.24 | 0.459 | 0.746 | 1.11 | QNA | complex9.pdb.gz | 71,72,73,99,100,101,105 |
| 10 | 0.08 | 1p47B | 0.694 | 0.76 | 0.476 | 0.719 | 1.50 | QNA | complex10.pdb.gz | 30,41,43,49,50,53,67,70,71,74,78,81,95,97,99,102,105,106,109 |
| 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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