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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 | 3cmvA | 0.262 | 8.73 | 0.032 | 0.413 | 0.15 | ANP | complex1.pdb.gz | 492,497,498,501,660 |
| 2 | 0.01 | 1xmsA | 0.154 | 6.69 | 0.067 | 0.211 | 0.17 | ANP | complex2.pdb.gz | 535,658,660,661 |
| 3 | 0.01 | 1gt8A | 0.293 | 9.07 | 0.047 | 0.476 | 0.25 | SF4 | complex3.pdb.gz | 549,576,577 |
| 4 | 0.01 | 1gt8A | 0.293 | 9.07 | 0.047 | 0.476 | 0.28 | SF4 | complex4.pdb.gz | 493,498,500,501,504,505 |
| 5 | 0.01 | 3cmvB | 0.246 | 8.48 | 0.028 | 0.378 | 0.15 | ANP | complex5.pdb.gz | 492,502,661 |
| 6 | 0.01 | 1gthA | 0.288 | 9.16 | 0.042 | 0.475 | 0.19 | IDH | complex6.pdb.gz | 499,501,502 |
| 7 | 0.01 | 1xmvA | 0.122 | 6.75 | 0.051 | 0.168 | 0.15 | ADP | complex7.pdb.gz | 496,497,498,501,659,660 |
| 8 | 0.01 | 1gt8A | 0.293 | 9.07 | 0.047 | 0.476 | 0.10 | FMN | complex8.pdb.gz | 383,384,507,573 |
| 9 | 0.01 | 1gt8C | 0.290 | 9.01 | 0.042 | 0.470 | 0.23 | SF4 | complex9.pdb.gz | 523,524,525,526 |
| 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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