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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 | 0.08 | 1zo9B | 0.454 | 4.38 | 0.093 | 0.699 | 0.17 | EPM | complex1.pdb.gz | 4,11,20,21,22,26,56 |
| 2 | 0.07 | 3kx3A | 0.453 | 4.21 | 0.085 | 0.693 | 0.17 | 140 | complex2.pdb.gz | 21,22,26,30,58 |
| 3 | 0.01 | 3dsjA | 0.470 | 4.38 | 0.043 | 0.719 | 0.21 | 243 | complex3.pdb.gz | 10,14,15 |
| 4 | 0.01 | 3p9dH | 0.466 | 5.16 | 0.081 | 0.791 | 0.18 | UUU | complex4.pdb.gz | 2,3,135,136 |
| 5 | 0.01 | 2uwhE | 0.454 | 4.24 | 0.085 | 0.693 | 0.14 | PLM | complex5.pdb.gz | 26,57,146 |
| 6 | 0.01 | 3dsiB | 0.469 | 4.44 | 0.043 | 0.719 | 0.21 | HEM | complex6.pdb.gz | 11,22,144,145,148,149 |
| 7 | 0.01 | 3qi8A | 0.444 | 4.29 | 0.084 | 0.686 | 0.19 | HEM | complex7.pdb.gz | 21,64,125,126,127,136,137,141 |
| 8 | 0.01 | 3ekdB | 0.437 | 4.42 | 0.060 | 0.686 | 0.18 | HEM | complex8.pdb.gz | 3,6,7,12,125,135,136 |
| 9 | 0.01 | 2dr6A | 0.508 | 4.76 | 0.061 | 0.824 | 0.24 | DM2 | complex9.pdb.gz | 3,14,18,19,21 |
| 10 | 0.01 | 3p9dN | 0.481 | 4.82 | 0.051 | 0.784 | 0.11 | UUU | complex10.pdb.gz | 14,21,22 |
| 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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