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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 | 2x96A | 0.388 | 6.40 | 0.071 | 0.602 | 0.13 | RX3 | complex1.pdb.gz | 115,116,200,204,207,211 |
| 2 | 0.01 | 3kllA | 0.405 | 6.58 | 0.038 | 0.626 | 0.29 | MAL | complex2.pdb.gz | 115,116,117,118,198,199 |
| 3 | 0.01 | 1loxA | 0.355 | 6.57 | 0.066 | 0.546 | 0.22 | RS7 | complex3.pdb.gz | 179,268,271 |
| 4 | 0.01 | 2x90A | 0.388 | 6.43 | 0.071 | 0.604 | 0.20 | EAL | complex4.pdb.gz | 139,140,182,183,186,327,328 |
| 5 | 0.01 | 3zqzA | 0.386 | 6.44 | 0.074 | 0.602 | 0.16 | SLC | complex5.pdb.gz | 266,268,348 |
| 6 | 0.01 | 1o86A | 0.391 | 6.34 | 0.054 | 0.600 | 0.14 | LPR | complex6.pdb.gz | 173,176,177,180 |
| 7 | 0.01 | 3hz3A | 0.393 | 6.47 | 0.043 | 0.609 | 0.12 | SUC | complex7.pdb.gz | 189,194,264,268,332 |
| 8 | 0.01 | 2oc2A | 0.393 | 6.27 | 0.040 | 0.600 | 0.13 | RX3 | complex8.pdb.gz | 182,183,186,190,329 |
| 9 | 0.01 | 2xhmA | 0.388 | 6.53 | 0.068 | 0.607 | 0.20 | K26 | complex9.pdb.gz | 171,172,175,179,272,335,340 |
| 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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