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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 | 0.06 | 2xjzA | 0.502 | 3.50 | 0.385 | 0.721 | 0.83 | III | complex1.pdb.gz | 77,78,83,85,94,95,96,97,98,99,100,101,102,103,104,107,110,122,123,125,126,127,128,129,130 |
| 2 | 0.04 | 2xjzC | 0.490 | 2.88 | 0.292 | 0.600 | 1.05 | III | complex2.pdb.gz | 77,78,83,84,85,94,95,96,97,98,99,100,101,102,103,104,110,122,123,124,125,126,127,128,129 |
| 3 | 0.01 | 3hndA | 0.433 | 5.40 | 0.073 | 0.794 | 0.41 | TTP | complex3.pdb.gz | 104,113,153 |
| 4 | 0.01 | 2wghA | 0.427 | 5.51 | 0.047 | 0.812 | 0.40 | DTP | complex4.pdb.gz | 100,101,110,125 |
| 5 | 0.01 | 1r1rA | 0.427 | 5.53 | 0.039 | 0.800 | 0.41 | III | complex5.pdb.gz | 102,104,105,161,162 |
| 6 | 0.01 | 4r1rA | 0.429 | 5.47 | 0.026 | 0.806 | 0.41 | III | complex6.pdb.gz | 103,104,105,106,107,108,154,155 |
| 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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