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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 | 0.02 | 3nk3B | 0.503 | 1.09 | 0.137 | 0.522 | 0.40 | III | complex1.pdb.gz | 80,93,106,108 |
| 2 | 0.01 | 3brfA | 0.450 | 5.10 | 0.046 | 0.734 | 0.14 | III | complex2.pdb.gz | 78,79,80,82 |
| 3 | 0.01 | 3sqgE | 0.429 | 4.92 | 0.061 | 0.696 | 0.32 | TP7 | complex3.pdb.gz | 58,76,78 |
| 4 | 0.01 | 2qkiD | 0.448 | 4.39 | 0.030 | 0.641 | 0.19 | III | complex4.pdb.gz | 54,55,56,78,80,106,109 |
| 5 | 0.01 | 3eg9B | 0.474 | 4.81 | 0.043 | 0.723 | 0.17 | III | complex5.pdb.gz | 52,53,54,55,56 |
| 6 | 0.01 | 3efoB | 0.474 | 4.90 | 0.043 | 0.728 | 0.22 | III | complex6.pdb.gz | 78,79,93,95,96,106 |
| 7 | 0.01 | 3sqgA | 0.442 | 5.26 | 0.063 | 0.750 | 0.15 | M43 | complex7.pdb.gz | 53,54,55 |
| 8 | 0.01 | 3zstA | 0.447 | 5.00 | 0.064 | 0.728 | 0.28 | ACX | complex8.pdb.gz | 32,33,79,80 |
| 9 | 0.01 | 2qkiA | 0.449 | 4.34 | 0.025 | 0.636 | 0.14 | III | complex9.pdb.gz | 78,79,80,81,116 |
| 10 | 0.01 | 2iv8A | 0.439 | 4.64 | 0.068 | 0.658 | 0.24 | III | complex10.pdb.gz | 79,81,82,93 |
| 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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