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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 | 3rkoC | 0.487 | 4.77 | 0.066 | 0.900 | 0.15 | LFA | complex1.pdb.gz | 15,18,21 |
| 2 | 0.01 | 1u1xA | 0.460 | 4.92 | 0.065 | 0.882 | 0.11 | HHA | complex2.pdb.gz | 2,3,4,5 |
| 3 | 0.01 | 2p8uA | 0.484 | 4.05 | 0.067 | 0.800 | 0.11 | COA | complex3.pdb.gz | 13,14,54,57 |
| 4 | 0.01 | 1m7r0 | 0.432 | 4.51 | 0.029 | 0.827 | 0.18 | III | complex4.pdb.gz | 15,16,17,18,22 |
| 5 | 0.01 | 3oyrB | 0.469 | 3.69 | 0.035 | 0.736 | 0.20 | IPE | complex5.pdb.gz | 15,19,43 |
| 6 | 0.01 | 2cwfB | 0.508 | 4.07 | 0.052 | 0.855 | 0.12 | NDP | complex6.pdb.gz | 4,53,74,85,87 |
| 7 | 0.01 | 1qya0 | 0.430 | 4.32 | 0.037 | 0.727 | 0.12 | III | complex7.pdb.gz | 13,16,35,37,38,39 |
| 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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