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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 | 2f3pA | 0.381 | 6.77 | 0.049 | 0.682 | 0.12 | 4GP | complex1.pdb.gz | 55,56,221 |
| 2 | 0.01 | 3ms4A | 0.379 | 6.74 | 0.045 | 0.676 | 0.14 | 21N | complex2.pdb.gz | 56,59,60,221 |
| 3 | 0.01 | 1aqlB | 0.345 | 7.10 | 0.042 | 0.642 | 0.16 | TCH | complex3.pdb.gz | 168,169,170,171,241 |
| 4 | 0.01 | 3mtaA | 0.380 | 6.80 | 0.049 | 0.682 | 0.11 | 22O | complex4.pdb.gz | 58,59,60 |
| 5 | 0.01 | 3e3nF | 0.388 | 6.70 | 0.043 | 0.686 | 0.27 | AMP | complex5.pdb.gz | 35,222,223,227,228 |
| 6 | 0.01 | 1ofdA | 0.385 | 6.73 | 0.058 | 0.676 | 0.33 | F3S | complex6.pdb.gz | 31,34,35,36,67 |
| 7 | 0.01 | 3cuvA | 0.381 | 6.79 | 0.045 | 0.682 | 0.14 | 475 | complex7.pdb.gz | 183,229,272 |
| 8 | 0.01 | 1fa9A | 0.389 | 6.69 | 0.051 | 0.682 | 0.14 | PLP | complex8.pdb.gz | 66,268,271 |
| 9 | 0.01 | 1pygB | 0.392 | 6.72 | 0.028 | 0.696 | 0.15 | AMP | complex9.pdb.gz | 222,223,227,228 |
| 10 | 0.01 | 1l5wA | 0.384 | 6.80 | 0.038 | 0.689 | 0.10 | GLC | complex10.pdb.gz | 56,57,58,220,222 |
| 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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