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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 | 0.58 | 3g5dA | 0.833 | 1.26 | 0.492 | 1.000 | 0.17 | 1N1 | complex1.pdb.gz | 17,24,28,43,44,46,50,51 |
| 2 | 0.57 | 2qq7B | 0.825 | 1.28 | 0.492 | 1.000 | 0.16 | SR2 | complex2.pdb.gz | 18,19,46,47,52 |
| 3 | 0.55 | 3dqwD | 0.828 | 1.27 | 0.492 | 1.000 | 0.15 | SAP | complex3.pdb.gz | 15,17,47,50 |
| 4 | 0.54 | 3d7tB | 0.832 | 1.23 | 0.492 | 1.000 | 0.18 | STU | complex4.pdb.gz | 16,46,47 |
| 5 | 0.54 | 3en4A | 0.832 | 1.25 | 0.492 | 1.000 | 0.18 | KS1 | complex5.pdb.gz | 17,25,47 |
| 6 | 0.53 | 1u54B | 0.835 | 1.30 | 0.475 | 1.000 | 0.18 | ACP | complex6.pdb.gz | 20,31,46 |
| 7 | 0.52 | 3bprB | 0.827 | 1.29 | 0.542 | 1.000 | 0.30 | OLP | complex7.pdb.gz | 13,40,43,44 |
| 8 | 0.52 | 2hwoA | 0.826 | 1.28 | 0.492 | 1.000 | 0.18 | RBS | complex8.pdb.gz | 8,17,48 |
| 9 | 0.51 | 1u54A | 0.835 | 1.31 | 0.475 | 1.000 | 0.22 | ACP | complex9.pdb.gz | 13,46,48 |
| 10 | 0.50 | 3f6xB | 0.830 | 1.25 | 0.492 | 1.000 | 0.22 | IHH | complex10.pdb.gz | 43,44,46 |
| 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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