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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 | 0.06 | 2nwxB | 0.448 | 3.73 | 0.257 | 0.504 | 0.22 | ASP | complex1.pdb.gz | 54,55,56,75 |
| 2 | 0.05 | 3kbcA | 0.695 | 2.35 | 0.317 | 0.746 | 0.10 | ASP | complex2.pdb.gz | 96,102,103 |
| 3 | 0.01 | 2nwwA | 0.449 | 5.54 | 0.109 | 0.607 | 0.34 | TB1 | complex3.pdb.gz | 55,75,78,79,82 |
| 4 | 0.01 | 3ir6A | 0.373 | 7.56 | 0.051 | 0.607 | 0.14 | GDP | complex4.pdb.gz | 58,80,82,278 |
| 5 | 0.01 | 1n38A | 0.332 | 7.64 | 0.043 | 0.543 | 0.24 | QNA | complex5.pdb.gz | 49,50,55,82,83 |
| 6 | 0.01 | 1n38A | 0.332 | 7.64 | 0.043 | 0.543 | 0.39 | CH1 | complex6.pdb.gz | 82,83,446 |
| 7 | 0.01 | 3ir5A | 0.375 | 7.48 | 0.051 | 0.607 | 0.24 | SF4 | complex7.pdb.gz | 57,59,60,277 |
| 8 | 0.01 | 1n35A | 0.344 | 7.99 | 0.031 | 0.583 | 0.11 | QNA | complex8.pdb.gz | 55,56,57,61,280,296 |
| 9 | 0.01 | 2iw3A | 0.339 | 7.08 | 0.048 | 0.524 | 0.17 | ADP | complex9.pdb.gz | 90,97,259 |
| 10 | 0.01 | 1yqwQ | 0.329 | 7.14 | 0.052 | 0.521 | 0.18 | UUU | complex10.pdb.gz | 54,59,60 |
| 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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