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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 | 3gznD | 0.279 | 6.83 | 0.047 | 0.482 | 0.14 | B39 | complex1.pdb.gz | 24,26,27 |
| 2 | 0.01 | 3q3hB | 0.365 | 6.67 | 0.031 | 0.628 | 0.26 | UDP | complex2.pdb.gz | 41,45,71,74 |
| 3 | 0.01 | 3l76B | 0.384 | 5.76 | 0.038 | 0.592 | 0.30 | THR | complex3.pdb.gz | 63,64,65,91 |
| 4 | 0.01 | 2azdA | 0.373 | 6.46 | 0.052 | 0.613 | 0.11 | UUU | complex4.pdb.gz | 28,39,54,59,67 |
| 5 | 0.01 | 3l76A | 0.377 | 6.08 | 0.031 | 0.588 | 0.26 | LYS | complex5.pdb.gz | 28,31,32,33 |
| 6 | 0.01 | 1gl9B | 0.403 | 6.44 | 0.029 | 0.674 | 0.20 | ANP | complex6.pdb.gz | 75,76,77,78 |
| 7 | 0.01 | 1r4nF | 0.227 | 7.16 | 0.017 | 0.418 | 0.15 | ATP | complex7.pdb.gz | 26,33,43,44,86,87 |
| 8 | 0.01 | 2e8zB | 0.373 | 6.69 | 0.027 | 0.640 | 0.21 | GLC | complex8.pdb.gz | 61,62,66,67 |
| 9 | 0.01 | 2z86A | 0.369 | 6.46 | 0.049 | 0.628 | 0.12 | UGA | complex9.pdb.gz | 28,85,87 |
| 10 | 0.01 | 3l76A | 0.377 | 6.08 | 0.031 | 0.588 | 0.32 | THR | complex10.pdb.gz | 27,28,60,62,63,65 |
| 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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