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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 | 3g93C | 0.585 | 2.47 | 0.077 | 0.860 | 0.18 | UUU | complex1.pdb.gz | 9,11,12,13,15,16 |
| 2 | 0.01 | 3r1bD | 0.555 | 2.60 | 0.058 | 0.860 | 0.15 | HEM | complex2.pdb.gz | 48,51,52 |
| 3 | 0.01 | 3kw4A | 0.545 | 2.53 | 0.056 | 0.877 | 0.12 | CH0 | complex3.pdb.gz | 29,38,41 |
| 4 | 0.01 | 3kw4A | 0.545 | 2.53 | 0.056 | 0.877 | 0.19 | CM5 | complex4.pdb.gz | 33,42,43 |
| 5 | 0.01 | 3g5nC | 0.583 | 2.46 | 0.074 | 0.877 | 0.12 | UUU | complex5.pdb.gz | 16,18,47,48,52,54,55 |
| 6 | 0.01 | 2bdmA | 0.566 | 2.45 | 0.058 | 0.860 | 0.15 | CM5 | complex6.pdb.gz | 28,39,41 |
| 7 | 0.01 | 2bdmA | 0.566 | 2.45 | 0.058 | 0.860 | 0.34 | CM5 | complex7.pdb.gz | 19,23,24,27,34 |
| 8 | 0.01 | 3r1bA | 0.589 | 2.43 | 0.056 | 0.877 | 0.21 | CM5 | complex8.pdb.gz | 18,22,28,29 |
| 9 | 0.01 | 2bdmA | 0.566 | 2.45 | 0.058 | 0.860 | 0.21 | TMI | complex9.pdb.gz | 31,34,49 |
| 10 | 0.01 | 2ve3A | 0.571 | 2.78 | 0.071 | 0.877 | 0.11 | HEM | complex10.pdb.gz | 7,8,11,12,15,16 |
| 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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