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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 | 2bhiA | 0.486 | 2.19 | 0.200 | 0.592 | 1.20 | SFT | complex1.pdb.gz | 40,43,47,51,65,66,67,68 |
| 2 | 0.04 | 2bhiB | 0.503 | 1.82 | 0.207 | 0.592 | 1.17 | C10 | complex2.pdb.gz | 40,43,48,51,65,68,73,86 |
| 3 | 0.03 | 1xt3A | 0.486 | 2.23 | 0.200 | 0.592 | 1.17 | UUU | complex3.pdb.gz | 40,47,65,66,67 |
| 4 | 0.03 | 1ywhE | 0.603 | 2.79 | 0.161 | 0.786 | 0.77 | III | complex4.pdb.gz | 22,24,39,41,94 |
| 5 | 0.02 | 2goo1 | 0.522 | 2.69 | 0.149 | 0.694 | 0.49 | III | complex5.pdb.gz | 42,51,53,67,84,86 |
| 6 | 0.02 | 2i9bE | 0.553 | 3.09 | 0.117 | 0.745 | 0.43 | UUU | complex6.pdb.gz | 40,41,42 |
| 7 | 0.01 | 2y6eA | 0.482 | 3.56 | 0.031 | 0.725 | 0.41 | ZN | complex7.pdb.gz | 40,66,68 |
| 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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