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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 | 1hkbB | 0.383 | 6.41 | 0.032 | 0.677 | 0.18 | G6P | complex1.pdb.gz | 12,62,63 |
| 2 | 0.01 | 1hkbA | 0.394 | 5.67 | 0.034 | 0.623 | 0.15 | BGC | complex2.pdb.gz | 2,18,62,64 |
| 3 | 0.01 | 1dgkN | 0.386 | 5.93 | 0.031 | 0.654 | 0.19 | GLC | complex3.pdb.gz | 2,3,4,11,17,73 |
| 4 | 0.01 | 3ff6D | 0.405 | 5.78 | 0.034 | 0.673 | 0.12 | RCP | complex4.pdb.gz | 15,16,18 |
| 5 | 0.01 | 1czaN | 0.386 | 6.49 | 0.048 | 0.681 | 0.17 | GLC | complex5.pdb.gz | 17,18,19,62,64 |
| 6 | 0.01 | 1qhaA | 0.333 | 6.13 | 0.052 | 0.564 | 0.14 | GLC | complex6.pdb.gz | 13,16,17 |
| 7 | 0.01 | 2nztA | 0.388 | 5.45 | 0.022 | 0.615 | 0.14 | UUU | complex7.pdb.gz | 21,64,65 |
| 8 | 0.01 | 2nztB | 0.294 | 6.72 | 0.046 | 0.556 | 0.22 | BG6 | complex8.pdb.gz | 15,20,62,63,67 |
| 9 | 0.01 | 2vu9A | 0.278 | 6.48 | 0.029 | 0.506 | 0.23 | UUU | complex9.pdb.gz | 23,57,58 |
| 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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