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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 | 2by4A | 0.425 | 5.62 | 0.064 | 0.712 | 0.13 | AD4 | complex1.pdb.gz | 13,14,65,66,69,72,73 |
| 2 | 0.01 | 3ar7A | 0.426 | 5.57 | 0.059 | 0.695 | 0.15 | 128 | complex2.pdb.gz | 115,117,128,185 |
| 3 | 0.01 | 3nalA | 0.424 | 5.53 | 0.065 | 0.691 | 0.13 | DBK | complex3.pdb.gz | 129,223,224 |
| 4 | 0.01 | 2easA | 0.425 | 5.50 | 0.059 | 0.700 | 0.16 | CZA | complex4.pdb.gz | 160,161,184,186 |
| 5 | 0.01 | 2dqsA | 0.428 | 5.63 | 0.064 | 0.712 | 0.25 | ACP | complex5.pdb.gz | 115,129,184,186 |
| 6 | 0.01 | 3fgoA | 0.415 | 5.71 | 0.058 | 0.691 | 0.12 | CZA | complex6.pdb.gz | 125,126,220 |
| 7 | 0.01 | 1mo8A | 0.270 | 5.23 | 0.067 | 0.416 | 0.38 | ATP | complex7.pdb.gz | 129,181,185,187,198,199,200 |
| 8 | 0.01 | 3p5rB | 0.408 | 5.98 | 0.039 | 0.682 | 0.12 | FGG | complex8.pdb.gz | 128,157,158,179 |
| 9 | 0.01 | 3b8cA | 0.422 | 5.74 | 0.048 | 0.704 | 0.19 | ACP | complex9.pdb.gz | 172,177,178,185 |
| 10 | 0.01 | 3ba6A | 0.416 | 5.86 | 0.060 | 0.725 | 0.12 | AN2 | complex10.pdb.gz | 117,128,184 |
| 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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