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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 | 0.18 | 2kxnB | 0.634 | 2.45 | 0.341 | 0.760 | 1.05 | QNA | complex1.pdb.gz | 31,55,56,57,68,70,72,97,98,99,100,104 |
| 2 | 0.07 | 2g4bA | 0.670 | 1.44 | 0.198 | 0.750 | 0.98 | RQA | complex2.pdb.gz | 27,29,66,67,70,99,101,102,103 |
| 3 | 0.07 | 2kg0A | 0.653 | 1.69 | 0.225 | 0.760 | 1.21 | RQA | complex3.pdb.gz | 31,32,33,35,64,65,87,88,99,100,102 |
| 4 | 0.06 | 1h2v1 | 0.723 | 2.05 | 0.289 | 0.798 | 1.29 | III | complex4.pdb.gz | 35,38,39,40,42,43,44,47,74,84,85,87,89,90 |
| 5 | 0.06 | 1urnB | 0.667 | 2.02 | 0.321 | 0.750 | 0.89 | RQA | complex5.pdb.gz | 29,31,34,55,57,59,66,67,68,70,102,103,104 |
| 6 | 0.05 | 2j0s2 | 0.699 | 1.39 | 0.262 | 0.769 | 1.13 | III | complex6.pdb.gz | 25,27,29,31,52,53,55,57,66,68,70 |
| 7 | 0.05 | 1a9n1 | 0.660 | 1.69 | 0.260 | 0.731 | 1.24 | III | complex7.pdb.gz | 39,40,42,43,44,46,47,49,50,53,89,90,91,92,96 |
| 8 | 0.05 | 1a9nD | 0.660 | 1.70 | 0.260 | 0.731 | 1.06 | RQA | complex8.pdb.gz | 29,31,34,35,38,55,56,57,58,66,67,68,70,97,100,102,103,104 |
| 9 | 0.04 | 1pgzA | 0.677 | 2.03 | 0.190 | 0.817 | 0.87 | UUU | complex9.pdb.gz | 27,29,31,53,55,57,66,67,68,70,100,102,103,104 |
| 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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