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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 | 2c1m0 | 0.488 | 5.61 | 0.073 | 0.711 | 0.16 | III | complex1.pdb.gz | 179,182,183,186 |
| 2 | 0.01 | 1bk50 | 0.490 | 5.81 | 0.068 | 0.727 | 0.17 | III | complex2.pdb.gz | 141,173,174 |
| 3 | 0.01 | 1pjnB | 0.487 | 5.76 | 0.064 | 0.725 | 0.12 | III | complex3.pdb.gz | 48,51,92,129,130,133,170,173,267 |
| 4 | 0.01 | 1un0B | 0.485 | 5.86 | 0.068 | 0.727 | 0.29 | III | complex4.pdb.gz | 44,47,84,85,88,96,99,132,134,135 |
| 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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