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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 | 0.03 | 1ydiA | 0.367 | 4.08 | 0.078 | 0.636 | 0.12 | III | complex1.pdb.gz | 33,57,60,99 |
| 2 | 0.01 | 2repA | 0.496 | 3.54 | 0.098 | 0.764 | 0.26 | ADP | complex2.pdb.gz | 59,60,61,62,63,64,65 |
| 3 | 0.01 | 2ibfA | 0.357 | 4.26 | 0.078 | 0.645 | 0.20 | III | complex3.pdb.gz | 27,28,61 |
| 4 | 0.01 | 3tj6A | 0.345 | 4.35 | 0.075 | 0.654 | 0.14 | III | complex4.pdb.gz | 14,57,60,61,88 |
| 5 | 0.01 | 2hsqA | 0.357 | 4.36 | 0.064 | 0.636 | 0.14 | III | complex5.pdb.gz | 13,30,31,60 |
| 6 | 0.01 | 3s90B | 0.384 | 3.74 | 0.053 | 0.627 | 0.13 | III | complex6.pdb.gz | 32,57,71,72,75 |
| 7 | 0.01 | 2ibfA | 0.357 | 4.26 | 0.078 | 0.645 | 0.12 | III | complex7.pdb.gz | 13,51,54,55,60,100 |
| 8 | 0.01 | 1t01A | 0.341 | 4.66 | 0.077 | 0.654 | 0.14 | III | complex8.pdb.gz | 11,26,27,32,35,59,75 |
| 9 | 0.01 | 1zvzA | 0.361 | 4.15 | 0.078 | 0.636 | 0.17 | III | complex9.pdb.gz | 17,18,49,50,70,74 |
| 10 | 0.01 | 3s90A | 0.370 | 4.17 | 0.080 | 0.645 | 0.14 | III | complex10.pdb.gz | 26,27,32,35,59,75 |
| 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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