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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 | 2vu9A | 0.211 | 6.88 | 0.021 | 0.349 | 0.23 | UUU | complex1.pdb.gz | 90,91,129,130 |
| 2 | 0.01 | 2vz9B | 0.352 | 7.35 | 0.034 | 0.622 | 0.18 | NAP | complex2.pdb.gz | 59,61,90 |
| 3 | 0.01 | 1ulvA | 0.325 | 6.64 | 0.041 | 0.525 | 0.10 | ACR | complex3.pdb.gz | 46,76,77,78 |
| 4 | 0.01 | 2y0pA | 0.217 | 5.65 | 0.022 | 0.310 | 0.14 | TD7 | complex4.pdb.gz | 82,84,138,141,143,144 |
| 5 | 0.01 | 2xtaA | 0.225 | 6.81 | 0.047 | 0.375 | 0.22 | ACO | complex5.pdb.gz | 60,90,92,129,132 |
| 6 | 0.01 | 1wdtA | 0.325 | 6.99 | 0.052 | 0.554 | 0.22 | GTP | complex6.pdb.gz | 1,4,5,6,46 |
| 7 | 0.01 | 3b8eA | 0.289 | 7.01 | 0.037 | 0.499 | 0.19 | III | complex7.pdb.gz | 60,61,64,68,78 |
| 8 | 0.01 | 2y0pA | 0.217 | 5.65 | 0.022 | 0.310 | 0.21 | ACO | complex8.pdb.gz | 5,72,76,79,81,137,138 |
| 9 | 0.01 | 3sucA | 0.320 | 6.80 | 0.042 | 0.525 | 0.30 | ATP | complex9.pdb.gz | 58,59,93 |
| 10 | 0.01 | 2uv8G | 0.357 | 7.11 | 0.027 | 0.614 | 0.11 | FMN | complex10.pdb.gz | 55,56,127,147 |
| 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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