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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 | 2v51B | 0.472 | 5.24 | 0.064 | 0.816 | 0.10 | LAB | complex1.pdb.gz | 5,6,11,14 |
| 2 | 0.01 | 1kxpA | 0.472 | 5.26 | 0.076 | 0.816 | 0.12 | ATP | complex2.pdb.gz | 4,5,47,50,51 |
| 3 | 0.01 | 1wuaA | 0.475 | 5.34 | 0.070 | 0.828 | 0.14 | AP8 | complex3.pdb.gz | 40,41,42,43,44,45 |
| 4 | 0.01 | 2yjfE | 0.438 | 5.40 | 0.064 | 0.791 | 0.13 | ATP | complex4.pdb.gz | 10,11,12 |
| 5 | 0.01 | 3g37R | 0.474 | 5.02 | 0.064 | 0.804 | 0.13 | ADP | complex5.pdb.gz | 58,61,62 |
| 6 | 0.01 | 3efoB | 0.483 | 5.06 | 0.069 | 0.797 | 0.31 | III | complex6.pdb.gz | 7,16,17,18,19,33,35,38 |
| 7 | 0.01 | 1qz6A | 0.477 | 5.45 | 0.070 | 0.841 | 0.28 | SUC | complex7.pdb.gz | 11,14,30 |
| 8 | 0.01 | 1j6zA | 0.472 | 5.27 | 0.076 | 0.828 | 0.21 | RHO | complex8.pdb.gz | 12,14,17 |
| 9 | 0.01 | 1esvA | 0.470 | 5.27 | 0.070 | 0.822 | 0.11 | ATP | complex9.pdb.gz | 58,61,62 |
| 10 | 0.01 | 3p03C | 0.501 | 4.38 | 0.026 | 0.767 | 0.10 | CHT | complex10.pdb.gz | 16,17,19 |
| 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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