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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 | 2w6dB | 0.582 | 3.63 | 0.064 | 0.805 | 0.65 | CPL | complex1.pdb.gz | 61,62,95,99 |
| 2 | 0.01 | 1zww0 | 0.528 | 3.17 | 0.062 | 0.704 | 0.51 | III | complex2.pdb.gz | 30,31,32,35,36,43,85,86,88,89,92,93,95,99,100,103,104,106,107,110,111,113,114,119 |
| 3 | 0.01 | 1wpgA | 0.459 | 4.14 | 0.079 | 0.692 | 0.60 | NA | complex3.pdb.gz | 61,62,63,91,95 |
| 4 | 0.01 | 2j9tA | 0.481 | 4.23 | 0.036 | 0.698 | 0.88 | BO3 | complex4.pdb.gz | 63,64,87,88,91 |
| 5 | 0.01 | 1kmi1 | 0.495 | 4.61 | 0.066 | 0.755 | 0.56 | III | complex5.pdb.gz | 87,89,92,94,99,100,104 |
| 6 | 0.01 | 3k2sA | 0.229 | 3.69 | 0.039 | 0.315 | 0.89 | CLR | complex6.pdb.gz | 53,57,60,61 |
| 7 | 0.01 | 3ar4A | 0.444 | 4.46 | 0.077 | 0.704 | 0.60 | PTY | complex7.pdb.gz | 51,58,62 |
| 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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