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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 | 0.28 | 2o9kA | 0.549 | 1.75 | 0.268 | 0.571 | 1.16 | III | complex1.pdb.gz | 233,234,235,251,277,301,327,343,454,512 |
| 2 | 0.16 | 3smrB | 0.549 | 1.76 | 0.268 | 0.571 | 1.10 | NP7 | complex2.pdb.gz | 235,236,276,277,278,301,327,367,369,385,496,512 |
| 3 | 0.11 | 2ce9A | 0.544 | 2.24 | 0.198 | 0.573 | 0.80 | III | complex3.pdb.gz | 234,236,276,278,300,326,328,370,385,411,453,470,496 |
| 4 | 0.09 | 2xu7A | 0.539 | 1.92 | 0.191 | 0.565 | 1.08 | III | complex4.pdb.gz | 227,229,230,235,277,278,327,369,411,451,453,494,512,515 |
| 5 | 0.08 | 2bcj0 | 0.544 | 1.97 | 0.237 | 0.571 | 1.01 | III | complex5.pdb.gz | 224,261,398,399,400,401,416,417,418,435,458,461,463,500,504,505,506,507,518 |
| 6 | 0.04 | 1got3 | 0.546 | 1.92 | 0.237 | 0.571 | 1.27 | III | complex6.pdb.gz | 233,251,264,265,266,267,274,275,277,301,303,323,324,325,343,344,367,369,385,409,411,494,512 |
| 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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