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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 | 0.03 | 2r5bA | 0.351 | 2.11 | 0.108 | 0.414 | 1.23 | III | complex1.pdb.gz | 20,23,26,27,30,31 |
| 2 | 0.02 | 1fchA | 0.610 | 3.18 | 0.059 | 0.957 | 0.91 | III | complex2.pdb.gz | 21,22,24,25,53,55 |
| 3 | 0.01 | 3l35C | 0.359 | 2.15 | 0.089 | 0.414 | 1.16 | III | complex3.pdb.gz | 15,19,22 |
| 4 | 0.01 | 1gzlB | 0.355 | 2.14 | 0.108 | 0.414 | 0.97 | III | complex4.pdb.gz | 12,15,16,19,22,23,26 |
| 5 | 0.01 | 3mgnC | 0.354 | 2.16 | 0.108 | 0.414 | 0.87 | UUU | complex5.pdb.gz | 41,44,45,50 |
| 6 | 0.01 | 2q3iA | 0.358 | 2.21 | 0.000 | 0.414 | 0.90 | III | complex6.pdb.gz | 15,18,21 |
| 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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