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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 | 2qtcA | 0.371 | 7.22 | 0.038 | 0.626 | 0.15 | TDK | complex1.pdb.gz | 13,45,47,54 |
| 2 | 0.01 | 2g25B | 0.383 | 6.92 | 0.040 | 0.626 | 0.12 | TDK | complex2.pdb.gz | 47,48,49 |
| 3 | 0.01 | 2x2iB | 0.365 | 6.92 | 0.027 | 0.590 | 0.17 | QPS | complex3.pdb.gz | 13,14,16,92 |
| 4 | 0.01 | 1l8aA | 0.332 | 7.56 | 0.022 | 0.593 | 0.14 | TDP | complex4.pdb.gz | 22,57,58 |
| 5 | 0.01 | 2x2iA | 0.360 | 7.42 | 0.056 | 0.619 | 0.23 | QPS | complex5.pdb.gz | 18,22,26,27,57 |
| 6 | 0.01 | 3ai7A | 0.369 | 7.42 | 0.069 | 0.643 | 0.25 | TPP | complex6.pdb.gz | 46,47,102 |
| 7 | 0.01 | 3ahcA | 0.370 | 7.44 | 0.080 | 0.648 | 0.17 | TPP | complex7.pdb.gz | 56,77,78 |
| 8 | 0.01 | 2c3oB | 0.375 | 7.17 | 0.060 | 0.643 | 0.26 | SF4 | complex8.pdb.gz | 14,15,16,17,18,19,55 |
| 9 | 0.01 | 3lq2A | 0.374 | 7.17 | 0.038 | 0.629 | 0.33 | TDP | complex9.pdb.gz | 56,58,86 |
| 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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