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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 | 0.12 | 1ie8A | 0.582 | 2.44 | 0.182 | 0.629 | 0.13 | KH1 | complex1.pdb.gz | 36,37,39,40,43,49 |
| 2 | 0.12 | 3afrA | 0.576 | 1.98 | 0.183 | 0.610 | 0.32 | III | complex2.pdb.gz | 28,37,38,42 |
| 3 | 0.12 | 3aurA | 0.590 | 2.44 | 0.180 | 0.636 | 0.12 | CA9 | complex3.pdb.gz | 33,39,43,52 |
| 4 | 0.06 | 3kfcA | 0.583 | 1.47 | 0.215 | 0.605 | 0.15 | 61X | complex4.pdb.gz | 35,38,39,41,42,50 |
| 5 | 0.05 | 1uhlB | 0.551 | 1.35 | 0.201 | 0.569 | 0.32 | III | complex5.pdb.gz | 34,37,38 |
| 6 | 0.05 | 2zfxA | 0.576 | 2.07 | 0.182 | 0.613 | 0.30 | III | complex6.pdb.gz | 28,36,37,40,41 |
| 7 | 0.05 | 3a2iA | 0.589 | 2.47 | 0.180 | 0.636 | 0.14 | TEJ | complex7.pdb.gz | 21,33,37,39 |
| 8 | 0.05 | 2hamA | 0.587 | 2.48 | 0.180 | 0.634 | 0.15 | C33 | complex8.pdb.gz | 21,32,39 |
| 9 | 0.05 | 3ax8A | 0.590 | 2.46 | 0.180 | 0.636 | 0.12 | EIM | complex9.pdb.gz | 22,23,31 |
| 10 | 0.05 | 1pqcC | 0.581 | 1.41 | 0.212 | 0.600 | 0.17 | 444 | complex10.pdb.gz | 39,40,43 |
| 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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