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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 | 2aj4A | 0.429 | 5.52 | 0.054 | 0.803 | 0.19 | ANP | complex1.pdb.gz | 6,36,37,38,41,42,43,46 |
| 2 | 0.01 | 3c67A | 0.423 | 4.82 | 0.056 | 0.717 | 0.32 | GLC | complex2.pdb.gz | 6,7,8,9,11 |
| 3 | 0.01 | 1e6yA | 0.426 | 4.79 | 0.034 | 0.717 | 0.21 | F43 | complex3.pdb.gz | 6,7,9,10,11,12 |
| 4 | 0.01 | 1bllE | 0.367 | 5.49 | 0.051 | 0.711 | 0.16 | III | complex4.pdb.gz | 6,35,48,51 |
| 5 | 0.01 | 1e6yA | 0.426 | 4.79 | 0.034 | 0.717 | 0.11 | TP7 | complex5.pdb.gz | 2,7,144 |
| 6 | 0.01 | 2zc4B | 0.384 | 5.44 | 0.036 | 0.717 | 0.20 | TEB | complex6.pdb.gz | 69,71,118 |
| 7 | 0.01 | 1t3qB | 0.429 | 5.08 | 0.058 | 0.750 | 0.11 | UUU | complex7.pdb.gz | 45,46,49 |
| 8 | 0.01 | 3gvdA | 0.425 | 4.78 | 0.079 | 0.724 | 0.40 | CYS | complex8.pdb.gz | 47,82,83 |
| 9 | 0.01 | 1sstA | 0.364 | 5.32 | 0.070 | 0.678 | 0.26 | COA | complex9.pdb.gz | 2,47,83,84 |
| 10 | 0.01 | 3o2kA | 0.398 | 4.92 | 0.062 | 0.691 | 0.21 | QRP | complex10.pdb.gz | 82,100,102,115 |
| 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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