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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 | 0.71 | 1q3dA | 0.816 | 2.28 | 0.339 | 0.883 | 1.49 | STU | complex1.pdb.gz | 11,12,19,32,81,82,83,84,131,134,144,145 |
| 2 | 0.68 | 3i4bB | 0.831 | 2.11 | 0.335 | 0.891 | 1.49 | Z48 | complex2.pdb.gz | 13,14,15,17,19,32,34,36,81,82,83,84,85,132,134,144,145 |
| 3 | 0.66 | 3o0gB | 0.702 | 1.61 | 0.373 | 0.735 | 1.22 | 3O0 | complex3.pdb.gz | 12,19,33,35,82,83,84,85,86,90,134,145 |
| 4 | 0.65 | 1j1cB | 0.836 | 2.28 | 0.341 | 0.902 | 1.41 | ADP | complex4.pdb.gz | 12,15,18,32,34,65,82,83,84,87,131,132,134,145 |
| 5 | 0.64 | 1q41A | 0.821 | 2.21 | 0.339 | 0.883 | 1.01 | IXM | complex5.pdb.gz | 12,18,33,81,82,83,84,85,87,134,144 |
| 6 | 0.64 | 3zrkB | 0.829 | 2.45 | 0.331 | 0.902 | 1.06 | ZRK | complex6.pdb.gz | 16,19,32,34,82,83,84,134,145 |
| 7 | 0.61 | 3f88A | 0.828 | 2.22 | 0.334 | 0.894 | 1.39 | 2HT | complex7.pdb.gz | 12,19,131,132,145 |
| 8 | 0.54 | 1pmqA | 0.724 | 2.66 | 0.245 | 0.799 | 1.13 | 880 | complex8.pdb.gz | 11,14,19,32,33,34,65,67,79,81,83,84,86,87,131,132,144 |
| 9 | 0.36 | 2p33A | 0.708 | 2.26 | 0.259 | 0.765 | 0.93 | J07 | complex9.pdb.gz | 11,12,13,19,32,65,81,82,84,85 |
| 10 | 0.35 | 3oxiA | 0.705 | 2.26 | 0.266 | 0.768 | 0.80 | SYY | complex10.pdb.gz | 13,18,32,81,82,83,84,144 |
| 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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