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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 | 2q7kA | 0.405 | 4.68 | 0.071 | 0.720 | 0.15 | III | complex1.pdb.gz | 54,57,64,65 |
| 2 | 0.01 | 2dpn0 | 0.449 | 4.57 | 0.056 | 0.814 | 0.11 | III | complex2.pdb.gz | 29,46,57,58,64,65,66,67,69 |
| 3 | 0.01 | 2ivfB | 0.460 | 4.62 | 0.044 | 0.831 | 0.33 | SF4 | complex3.pdb.gz | 48,49,50,51,55,114,115 |
| 4 | 0.01 | 2yhdA | 0.401 | 4.87 | 0.039 | 0.729 | 0.18 | AV6 | complex4.pdb.gz | 57,58,63 |
| 5 | 0.01 | 2nw4A | 0.442 | 4.11 | 0.064 | 0.703 | 0.18 | 8NH | complex5.pdb.gz | 26,55,65,67 |
| 6 | 0.01 | 2piwA | 0.438 | 4.22 | 0.063 | 0.712 | 0.16 | T3 | complex6.pdb.gz | 56,57,67 |
| 7 | 0.01 | 2piwA | 0.438 | 4.22 | 0.063 | 0.712 | 0.12 | DHT | complex7.pdb.gz | 27,28,54,65 |
| 8 | 0.01 | 3b67A | 0.402 | 4.78 | 0.039 | 0.729 | 0.14 | B67 | complex8.pdb.gz | 25,27,54,55,65,67 |
| 9 | 0.01 | 3hz6A | 0.436 | 4.73 | 0.018 | 0.788 | 0.18 | ADP | complex9.pdb.gz | 48,54,96 |
| 10 | 0.01 | 2pitA | 0.444 | 4.17 | 0.053 | 0.712 | 0.16 | DHT | complex10.pdb.gz | 25,55,67 |
| | 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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