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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 | 0.60 | 1meyF | 0.950 | 0.59 | 0.554 | 1.000 | 1.09 | QNA | complex1.pdb.gz | 16,19,22,23,26,40,44,47,50,51,54 |
| 2 | 0.49 | 1a1kA | 0.923 | 0.76 | 0.429 | 1.000 | 1.15 | QNA | complex2.pdb.gz | 5,16,17,18,45,46,49 |
| 3 | 0.27 | 2kmkA | 0.846 | 1.08 | 0.375 | 1.000 | 0.87 | QNA | complex3.pdb.gz | 14,16,19,23,26,43,44,47,51,54 |
| 4 | 0.24 | 1llmC | 0.902 | 0.76 | 0.418 | 0.982 | 1.49 | QNA | complex4.pdb.gz | 18,44,45,46,49,50 |
| 5 | 0.15 | 1p47A | 0.934 | 0.70 | 0.429 | 1.000 | 0.99 | QNA | complex5.pdb.gz | 12,14,15,16,19,23,26,40,42,44,47,50,51,54 |
| 6 | 0.11 | 1p47B | 0.923 | 0.75 | 0.429 | 1.000 | 1.02 | QNA | complex6.pdb.gz | 12,15,16,19,23,26,40,42,44,47,50,51,54 |
| 7 | 0.08 | 1p47A | 0.934 | 0.70 | 0.429 | 1.000 | 1.08 | QNA | complex7.pdb.gz | 16,17,18,44,45,46,49 |
| 8 | 0.07 | 1f2i0 | 0.864 | 1.08 | 0.375 | 1.000 | 1.17 | III | complex8.pdb.gz | 4,5,15,16,20,21,24,28,30 |
| 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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