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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 | 3o8lB | 0.261 | 8.09 | 0.034 | 0.376 | 0.13 | ATP | complex1.pdb.gz | 5,56,58,63,87 |
| 2 | 0.01 | 1llwA | 0.264 | 9.15 | 0.039 | 0.412 | 0.15 | FMN | complex2.pdb.gz | 193,265,300,303,681,714 |
| 3 | 0.01 | 2vdcA | 0.279 | 9.53 | 0.022 | 0.451 | 0.19 | FMN | complex3.pdb.gz | 179,181,521,639 |
| 4 | 0.01 | 3cf4A | 0.279 | 8.12 | 0.044 | 0.404 | 0.24 | UUU | complex4.pdb.gz | 179,180,327,358 |
| 5 | 0.01 | 1ea0A | 0.281 | 9.28 | 0.023 | 0.445 | 0.16 | FMN | complex5.pdb.gz | 307,508,509,640 |
| 6 | 0.01 | 1ea0B | 0.271 | 9.42 | 0.041 | 0.431 | 0.18 | FMN | complex6.pdb.gz | 303,313,486 |
| 7 | 0.01 | 1lm1A | 0.271 | 9.49 | 0.055 | 0.432 | 0.18 | FMN | complex7.pdb.gz | 190,191,192,500,680 |
| 8 | 0.01 | 1a9xA | 0.265 | 9.25 | 0.033 | 0.416 | 0.18 | ORN | complex8.pdb.gz | 448,590,591,592 |
| 9 | 0.01 | 1bxrA | 0.261 | 9.20 | 0.040 | 0.410 | 0.27 | ORN | complex9.pdb.gz | 496,507,590,591,592 |
| 10 | 0.01 | 3opyB | 0.267 | 8.14 | 0.048 | 0.387 | 0.20 | ATP | complex10.pdb.gz | 280,281,581 |
| 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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