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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 | 1bxgB | 0.487 | 4.99 | 0.057 | 0.808 | 0.14 | HCI | complex1.pdb.gz | 3,4,125 |
| 2 | 0.01 | 3kyqA | 0.525 | 3.15 | 0.073 | 0.653 | 0.19 | DPV | complex2.pdb.gz | 8,13,43 |
| 3 | 0.01 | 3ryiA | 0.492 | 5.49 | 0.066 | 0.850 | 0.12 | GTP | complex3.pdb.gz | 66,89,91,124 |
| 4 | 0.01 | 3e22A | 0.494 | 5.29 | 0.056 | 0.829 | 0.11 | GTP | complex4.pdb.gz | 5,124,126 |
| 5 | 0.01 | 1sa1A | 0.480 | 5.61 | 0.059 | 0.865 | 0.12 | GTP | complex5.pdb.gz | 20,21,125 |
| 6 | 0.01 | 3du7C | 0.475 | 5.59 | 0.086 | 0.860 | 0.11 | GTP | complex6.pdb.gz | 19,65,125,128 |
| 7 | 0.01 | 1bxg0 | 0.495 | 5.07 | 0.063 | 0.808 | 0.21 | III | complex7.pdb.gz | 12,17,18,19 |
| 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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