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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 | 0.21 | 2bx8A | 0.574 | 3.82 | 0.112 | 0.848 | 0.42 | AZQ | complex1.pdb.gz | 25,69,70,72 |
| 2 | 0.07 | 3cx9A | 0.570 | 3.82 | 0.112 | 0.830 | 0.52 | MYR | complex2.pdb.gz | 26,30,35 |
| 3 | 0.07 | 1e7bB | 0.577 | 3.93 | 0.112 | 0.848 | 0.48 | HLT | complex3.pdb.gz | 26,34,37,38,81 |
| 4 | 0.07 | 1bkeA | 0.572 | 3.89 | 0.112 | 0.839 | 0.48 | B3I | complex4.pdb.gz | 29,35,42 |
| 5 | 0.06 | 2bxpA | 0.573 | 3.98 | 0.112 | 0.848 | 0.44 | MYR | complex5.pdb.gz | 25,29,32 |
| 6 | 0.05 | 2vdbA | 0.546 | 3.87 | 0.106 | 0.812 | 0.45 | NPS | complex6.pdb.gz | 25,35,38,70 |
| 7 | 0.05 | 2bxmA | 0.574 | 3.88 | 0.112 | 0.839 | 0.51 | IMN | complex7.pdb.gz | 18,21,22,25,26,38 |
| 8 | 0.02 | 2xvvA | 0.570 | 4.06 | 0.111 | 0.857 | 0.42 | 9DN | complex8.pdb.gz | 26,35,38,73 |
| 9 | 0.02 | 1e7cA | 0.566 | 3.91 | 0.102 | 0.839 | 0.78 | HLT | complex9.pdb.gz | 27,32,35,36,39 |
| 10 | 0.02 | 3b9mA | 0.572 | 3.68 | 0.093 | 0.830 | 0.41 | SAL | complex10.pdb.gz | 30,35,75 |
| 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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