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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 | 2i37A | 0.449 | 4.72 | 0.076 | 0.649 | 0.80 | UUU | complex1.pdb.gz | 70,71,74,75,76 |
| 2 | 0.01 | 2w6dB | 0.436 | 5.19 | 0.070 | 0.673 | 0.91 | CPL | complex2.pdb.gz | 33,34,35,71,72,74 |
| 3 | 0.01 | 1gzmA | 0.457 | 4.71 | 0.087 | 0.653 | 0.57 | UUU | complex3.pdb.gz | 36,39,65,66 |
| 4 | 0.01 | 2gdcA | 0.367 | 4.70 | 0.045 | 0.522 | 0.47 | III | complex4.pdb.gz | 22,72,76,79,80,83 |
| 5 | 0.01 | 2gwwA | 0.368 | 5.00 | 0.058 | 0.539 | 0.41 | III | complex5.pdb.gz | 24,27,28,31,34,35,38,42 |
| 6 | 0.01 | 2ibfA | 0.356 | 4.89 | 0.053 | 0.518 | 0.45 | III | complex6.pdb.gz | 71,74,76,93,100,104 |
| 7 | 0.01 | 3oaxB | 0.460 | 4.90 | 0.083 | 0.669 | 0.46 | 4E6 | complex7.pdb.gz | 25,29,32,36 |
| 8 | 0.01 | 1rke1 | 0.368 | 3.43 | 0.069 | 0.457 | 0.45 | III | complex8.pdb.gz | 28,31,34,35,38,39,41,45,63,64,67,70,71,74,78 |
| 9 | 0.01 | 1u6hA | 0.362 | 4.87 | 0.055 | 0.518 | 0.48 | III | complex9.pdb.gz | 36,65,69,72,80 |
| 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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