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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 | 0.01 | 1pjnB | 0.397 | 6.05 | 0.062 | 0.630 | 0.10 | III | complex1.pdb.gz | 61,93,96,100,103,141,235,238,242 |
| 2 | 0.01 | 3cmvD | 0.391 | 6.69 | 0.052 | 0.677 | 0.24 | ANP | complex2.pdb.gz | 101,102,103,127 |
| 3 | 0.01 | 2xt6A | 0.428 | 6.69 | 0.056 | 0.750 | 0.20 | TPP | complex3.pdb.gz | 104,105,106,140,141,142,163 |
| 4 | 0.01 | 1q1tC | 0.415 | 6.01 | 0.059 | 0.665 | 0.19 | III | complex4.pdb.gz | 96,100,102,103,162 |
| 5 | 0.01 | 3cmvF | 0.353 | 6.83 | 0.042 | 0.630 | 0.28 | ANP | complex5.pdb.gz | 104,106,107 |
| 6 | 0.01 | 3cmvA | 0.358 | 6.98 | 0.049 | 0.649 | 0.17 | ANP | complex6.pdb.gz | 103,106,135,139,160 |
| 7 | 0.01 | 3cmvH | 0.354 | 6.79 | 0.049 | 0.627 | 0.26 | ANP | complex7.pdb.gz | 104,105,106,107 |
| 8 | 0.01 | 2xtaA | 0.400 | 6.46 | 0.042 | 0.683 | 0.24 | ACO | complex8.pdb.gz | 151,157,158,159,160 |
| 9 | 0.01 | 1q1sC | 0.409 | 6.01 | 0.070 | 0.652 | 0.16 | III | complex9.pdb.gz | 97,99,100,101 |
| 10 | 0.01 | 1t9uA | 0.405 | 5.60 | 0.062 | 0.633 | 0.17 | CPF | complex10.pdb.gz | 106,108,109 |
| 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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