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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 | 1kv9A | 0.450 | 5.44 | 0.046 | 0.759 | 0.17 | HEM | complex1.pdb.gz | 5,6,18,19,21,48,54 |
| 2 | 0.01 | 1bllE | 0.446 | 6.00 | 0.060 | 0.806 | 0.14 | III | complex2.pdb.gz | 8,9,12,16,60 |
| 3 | 0.01 | 2avu2 | 0.169 | 4.61 | 0.029 | 0.250 | 0.32 | III | complex3.pdb.gz | 1,5,8,15 |
| 4 | 0.01 | 1kb0A | 0.459 | 5.47 | 0.035 | 0.773 | 0.13 | HEC | complex4.pdb.gz | 6,46,60,61 |
| 5 | 0.01 | 1azs3 | 0.238 | 4.48 | 0.022 | 0.352 | 0.20 | III | complex5.pdb.gz | 2,5,6,8,9,10,12,13,16,57,58,59,60 |
| 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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