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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 | 1r64B | 0.403 | 5.55 | 0.064 | 0.745 | 0.11 | III | complex1.pdb.gz | 2,16,70,72,73 |
| 2 | 0.01 | 1pg3A | 0.392 | 5.66 | 0.047 | 0.745 | 0.11 | COA | complex2.pdb.gz | 128,129,130 |
| 3 | 0.01 | 1pg3A | 0.392 | 5.66 | 0.047 | 0.745 | 0.12 | PRX | complex3.pdb.gz | 59,69,70,142,145 |
| 4 | 0.01 | 2cvxA | 0.389 | 5.80 | 0.026 | 0.745 | 0.36 | DGT | complex4.pdb.gz | 95,96,97,122,140 |
| 5 | 0.01 | 1zzdA | 0.387 | 5.62 | 0.027 | 0.721 | 0.24 | III | complex5.pdb.gz | 100,101,127 |
| 6 | 0.01 | 1ox5A | 0.409 | 5.36 | 0.029 | 0.758 | 0.17 | 1PR | complex6.pdb.gz | 73,99,121,142 |
| 7 | 0.01 | 2zlgA | 0.439 | 5.66 | 0.055 | 0.826 | 0.24 | MRT | complex7.pdb.gz | 126,143,144 |
| 8 | 0.01 | 1ox4B | 0.415 | 5.33 | 0.036 | 0.758 | 0.21 | POP | complex8.pdb.gz | 127,129,145 |
| 9 | 0.01 | 2pupA | 0.411 | 5.49 | 0.082 | 0.776 | 0.24 | ADP | complex9.pdb.gz | 118,119,120,121 |
| 10 | 0.01 | 2p2bA | 0.366 | 5.53 | 0.056 | 0.696 | 0.15 | PRX | complex10.pdb.gz | 101,102,103,104 |
| 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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