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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 | 0.04 | 3mk7D | 0.567 | 3.50 | 0.103 | 0.794 | 0.61 | CA | complex1.pdb.gz | 80,82,131 |
| 2 | 0.01 | 2i19B | 0.537 | 3.97 | 0.074 | 0.780 | 0.41 | 1BY | complex2.pdb.gz | 84,88,127 |
| 3 | 0.01 | 1i490 | 0.546 | 3.04 | 0.068 | 0.716 | 0.49 | III | complex3.pdb.gz | 54,55,78,91,112,116,120,121,123,124,127,131,132,134,135 |
| 4 | 0.01 | 2hydA | 0.526 | 3.88 | 0.031 | 0.766 | 0.44 | ADP | complex4.pdb.gz | 99,100,102,108 |
| 5 | 0.01 | 2hydA | 0.526 | 3.88 | 0.031 | 0.766 | 0.42 | ADP | complex5.pdb.gz | 90,118,119,123,124,125,126 |
| 6 | 0.01 | 2onjB | 0.525 | 3.70 | 0.031 | 0.759 | 0.51 | ANP | complex6.pdb.gz | 103,106,107 |
| 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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