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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 | 0.42 | 3zrlA | 0.336 | 4.18 | 0.182 | 0.393 | 1.00 | ZRL | complex1.pdb.gz | 16,20,23,36,38,87,88,89,142,157 |
| 2 | 0.42 | 3m1sA | 0.336 | 4.25 | 0.178 | 0.393 | 1.06 | DW1 | complex2.pdb.gz | 15,16,17,20,23,36,38,68,86,87,88,89,90,93,142,156,157 |
| 3 | 0.41 | 2ow3B | 0.335 | 4.21 | 0.177 | 0.393 | 1.02 | BIM | complex3.pdb.gz | 15,23,36,38,86,87,88,89,92,94,156,157 |
| 4 | 0.12 | 1q99B | 0.348 | 4.29 | 0.177 | 0.409 | 0.99 | ANP | complex4.pdb.gz | 17,18,19,20,21,23,36,38,68,87,89,157,160 |
| 5 | 0.12 | 3lj1B | 0.348 | 4.59 | 0.153 | 0.413 | 1.16 | DKI | complex5.pdb.gz | 15,16,17,23,36,87,89,91,96,139,142,156 |
| 6 | 0.11 | 3sdjD | 0.358 | 4.86 | 0.141 | 0.432 | 1.14 | APJ | complex6.pdb.gz | 15,17,36,86,87,89,142,157 |
| 7 | 0.10 | 1q97B | 0.346 | 4.28 | 0.174 | 0.408 | 0.85 | ADN | complex7.pdb.gz | 17,22,36,87 |
| 8 | 0.10 | 3f88A | 0.335 | 4.26 | 0.162 | 0.391 | 0.96 | 2HT | complex8.pdb.gz | 16,20,23,140,157 |
| 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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