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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 | 1oh5A | 0.312 | 6.79 | 0.026 | 0.536 | 0.24 | QNA | complex1.pdb.gz | 61,78,89,90,92 |
| 2 | 0.01 | 1fw6A | 0.370 | 6.14 | 0.077 | 0.576 | 0.34 | ADP | complex2.pdb.gz | 44,61,62,63,64,65,66 |
| 3 | 0.01 | 1oh8A | 0.318 | 6.54 | 0.052 | 0.539 | 0.33 | QNA | complex3.pdb.gz | 62,78,89,90,92 |
| 4 | 0.01 | 1ng9A | 0.317 | 6.63 | 0.051 | 0.548 | 0.20 | QNA | complex4.pdb.gz | 42,43,44,68 |
| 5 | 0.01 | 1e3mA | 0.317 | 6.54 | 0.048 | 0.539 | 0.10 | QNA | complex5.pdb.gz | 38,40,89,91,93 |
| 6 | 0.01 | 1nneA | 0.371 | 6.07 | 0.073 | 0.573 | 0.19 | QNA | complex6.pdb.gz | 46,88,89,91 |
| 7 | 0.01 | 1wb9A | 0.315 | 6.48 | 0.036 | 0.527 | 0.10 | QNA | complex7.pdb.gz | 43,61,62,66 |
| 8 | 0.01 | 3a3yA | 0.365 | 6.79 | 0.028 | 0.633 | 0.33 | K | complex8.pdb.gz | 40,42,43,89 |
| 9 | 0.01 | 1ewqA | 0.361 | 5.71 | 0.060 | 0.545 | 0.22 | QNA | complex9.pdb.gz | 24,25,26 |
| 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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