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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 | 0.64 | 2ae2A | 0.779 | 1.50 | 0.247 | 0.815 | 1.33 | NAP | complex1.pdb.gz | 14,16,17,18,19,38,39,63,64,65,92,94,95,122,149,150,151,163,167,193,194,195,196,198,199,200,201 |
| 2 | 0.32 | 1xr3A | 0.745 | 1.91 | 0.256 | 0.786 | 0.88 | ISZ | complex2.pdb.gz | 12,13,14,17,19 |
| 3 | 0.06 | 2rhcA | 0.747 | 1.93 | 0.255 | 0.789 | 1.28 | EMO | complex3.pdb.gz | 96,151,152,153,156,158,163,195 |
| 4 | 0.05 | 1vl80 | 0.754 | 1.48 | 0.252 | 0.786 | 0.94 | III | complex4.pdb.gz | 68,120,125,128,153,155,157,162,164,165,168,169,172,175,176,177,179,180,181 |
| 5 | 0.05 | 3ai3E | 0.760 | 2.14 | 0.217 | 0.811 | 1.06 | SOE | complex5.pdb.gz | 4,5,8,88,144,187,240,242 |
| 6 | 0.05 | 3ai3G | 0.758 | 2.16 | 0.217 | 0.811 | 1.00 | SOE | complex6.pdb.gz | 17,20,21,24,36,38 |
| 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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