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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 | 3lceB | 0.473 | 4.43 | 0.124 | 0.818 | 0.15 | LCE | complex1.pdb.gz | 3,14,118,119,120 |
| 2 | 0.01 | 2zc5D | 0.480 | 4.94 | 0.088 | 0.868 | 0.20 | BMG | complex2.pdb.gz | 9,11,108,109,110 |
| 3 | 0.01 | 3sztB | 0.470 | 4.56 | 0.083 | 0.785 | 0.38 | OHN | complex3.pdb.gz | 11,13,14,34,73,90,91,92,94 |
| 4 | 0.01 | 2olvA | 0.498 | 4.67 | 0.044 | 0.868 | 0.21 | M0E | complex4.pdb.gz | 31,32,65,66,67 |
| 5 | 0.01 | 1cefA | 0.508 | 4.28 | 0.048 | 0.851 | 0.15 | CEF | complex5.pdb.gz | 110,112,114 |
| 6 | 0.01 | 3sztA | 0.490 | 4.37 | 0.083 | 0.802 | 0.25 | OHN | complex6.pdb.gz | 12,14,90,92 |
| 7 | 0.01 | 1sdeA | 0.350 | 5.03 | 0.076 | 0.703 | 0.13 | 2PB | complex7.pdb.gz | 3,4,8 |
| 8 | 0.01 | 2wgiA | 0.468 | 4.51 | 0.046 | 0.826 | 0.18 | PNM | complex8.pdb.gz | 11,37,95 |
| 9 | 0.01 | 1h5xA | 0.474 | 4.39 | 0.064 | 0.835 | 0.22 | IM2 | complex9.pdb.gz | 64,73,74,75 |
| 10 | 0.01 | 2c5wB | 0.483 | 4.75 | 0.079 | 0.843 | 0.22 | PCZ | complex10.pdb.gz | 14,17,89,90 |
| 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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