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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 | 0.76 | 1nvwQ | 0.785 | 1.15 | 0.289 | 0.818 | 1.43 | GNP | complex1.pdb.gz | 13,14,15,16,17,18,19,29,30,31,32,33,35,36,61,62,63,129,130,132,133,160,161,162 |
| 2 | 0.45 | 1xd2A | 0.788 | 1.09 | 0.289 | 0.818 | 1.33 | PO4 | complex2.pdb.gz | 13,17,33,35,36,61,62,63 |
| 3 | 0.42 | 1nvuR | 0.707 | 2.29 | 0.271 | 0.778 | 1.44 | PO4 | complex3.pdb.gz | 14,15,16,17,18,61 |
| 4 | 0.06 | 3rslA | 0.739 | 1.12 | 0.288 | 0.768 | 1.57 | RSF | complex4.pdb.gz | 12,13,97,99,100 |
| 5 | 0.06 | 2uzi1 | 0.781 | 1.23 | 0.283 | 0.818 | 1.18 | III | complex5.pdb.gz | 18,26,28,30,33,34,35,38,39,40,41,42,75 |
| 6 | 0.06 | 5p210 | 0.782 | 1.22 | 0.283 | 0.818 | 1.14 | III | complex6.pdb.gz | 49,50,153,154,156,157,158,169,176 |
| 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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