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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 | 3ck9A | 0.459 | 4.83 | 0.020 | 0.743 | 0.20 | GLC | complex1.pdb.gz | 62,118,120 |
| 2 | 0.01 | 1uouA | 0.430 | 4.81 | 0.099 | 0.684 | 0.15 | CMU | complex2.pdb.gz | 162,165,166,168 |
| 3 | 0.01 | 2wp9I | 0.443 | 4.97 | 0.053 | 0.737 | 0.25 | NA | complex3.pdb.gz | 58,59,60,61 |
| 4 | 0.01 | 2wdrA | 0.444 | 5.05 | 0.053 | 0.743 | 0.27 | NA | complex4.pdb.gz | 60,106,108 |
| 5 | 0.01 | 3ckbA | 0.343 | 5.52 | 0.027 | 0.597 | 0.17 | MLR | complex5.pdb.gz | 62,120,122 |
| 6 | 0.01 | 1uou0 | 0.430 | 4.81 | 0.099 | 0.684 | 0.20 | III | complex6.pdb.gz | 61,111,112,113,114,115 |
| 7 | 0.01 | 1l0vA | 0.442 | 5.19 | 0.036 | 0.754 | 0.13 | OAA | complex7.pdb.gz | 14,62,64 |
| 8 | 0.01 | 2wk6A | 0.442 | 4.76 | 0.104 | 0.690 | 0.14 | IUR | complex8.pdb.gz | 89,92,93,96 |
| 9 | 0.01 | 3ck7D | 0.359 | 5.58 | 0.034 | 0.626 | 0.14 | ACX | complex9.pdb.gz | 61,115,117 |
| 10 | 0.01 | 2tpt0 | 0.464 | 4.25 | 0.039 | 0.661 | 0.28 | III | complex10.pdb.gz | 59,99,100,101 |
| 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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