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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 | 0.01 | 3a7rA | 0.472 | 4.15 | 0.123 | 0.819 | 0.14 | LAQ | complex1.pdb.gz | 16,17,70,72,76,86,87,88,89 |
| 2 | 0.01 | 1x2hB | 0.465 | 3.83 | 0.125 | 0.798 | 0.15 | LPA | complex2.pdb.gz | 18,77,79 |
| 3 | 0.01 | 3a7aC | 0.466 | 4.13 | 0.085 | 0.830 | 0.18 | UUU | complex3.pdb.gz | 63,71,89 |
| 4 | 0.01 | 2e5aA | 0.472 | 4.01 | 0.111 | 0.819 | 0.11 | LAQ | complex4.pdb.gz | 16,45,88,89,90 |
| 5 | 0.01 | 1ej3A | 0.428 | 3.82 | 0.056 | 0.713 | 0.13 | CZH | complex5.pdb.gz | 55,78,88,89 |
| 6 | 0.01 | 3u0fA | 0.422 | 4.05 | 0.086 | 0.713 | 0.18 | 07L | complex6.pdb.gz | 15,16,80 |
| 7 | 0.01 | 1ej3B | 0.433 | 3.91 | 0.043 | 0.723 | 0.17 | CZH | complex7.pdb.gz | 38,41,42,59 |
| 8 | 0.01 | 3a7aA | 0.467 | 4.21 | 0.084 | 0.819 | 0.15 | UUU | complex8.pdb.gz | 16,17,70,72,76,87,88,89 |
| 9 | 0.01 | 2aruA | 0.486 | 3.99 | 0.024 | 0.808 | 0.14 | ATP | complex9.pdb.gz | 24,73,82,83,89,91 |
| 10 | 0.01 | 2fr7A | 0.486 | 3.92 | 0.046 | 0.755 | 0.11 | HEM | complex10.pdb.gz | 55,89,90,93 |
| 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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