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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 | 2dbxD | 0.445 | 3.57 | 0.041 | 0.656 | 0.25 | GLU | complex1.pdb.gz | 11,22,101,102 |
| 2 | 0.01 | 1ao0A | 0.455 | 3.63 | 0.067 | 0.721 | 0.16 | 5GP | complex2.pdb.gz | 11,77,105,106,108 |
| 3 | 0.01 | 1k6rA | 0.454 | 4.86 | 0.054 | 0.828 | 0.20 | MX1 | complex3.pdb.gz | 26,80,81 |
| 4 | 0.01 | 1gph3 | 0.332 | 5.41 | 0.038 | 0.664 | 0.19 | AMP | complex4.pdb.gz | 98,102,109,110,111 |
| 5 | 0.01 | 1jgtA | 0.443 | 3.74 | 0.074 | 0.689 | 0.11 | UUU | complex5.pdb.gz | 12,13,100,112,113 |
| 6 | 0.01 | 1mbzB | 0.451 | 3.77 | 0.065 | 0.697 | 0.18 | POP | complex6.pdb.gz | 9,11,12,13 |
| 7 | 0.01 | 2ia20 | 0.450 | 4.89 | 0.073 | 0.844 | 0.20 | III | complex7.pdb.gz | 50,54,55,91,92 |
| 8 | 0.01 | 1gph1 | 0.468 | 3.90 | 0.067 | 0.738 | 0.22 | AMP | complex8.pdb.gz | 22,102,108,109,110,111 |
| 9 | 0.01 | 2dbwB | 0.451 | 3.65 | 0.041 | 0.664 | 0.35 | GLU | complex9.pdb.gz | 10,76,77,102,103,104 |
| 10 | 0.01 | 3sl0A | 0.409 | 5.09 | 0.067 | 0.787 | 0.16 | FB5 | complex10.pdb.gz | 11,13,16 |
| 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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