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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 | 0.06 | 1ngxB | 0.527 | 3.88 | 0.102 | 0.680 | 0.86 | JEF | complex1.pdb.gz | 51,109,114 |
| 2 | 0.04 | 2c1pB | 0.549 | 3.06 | 0.087 | 0.649 | 0.60 | FNZ | complex2.pdb.gz | 51,53,63,108,120 |
| 3 | 0.04 | 1a3lH | 0.571 | 3.72 | 0.081 | 0.711 | 0.73 | CFC | complex3.pdb.gz | 53,55,60,63,106,108,116,117 |
| 4 | 0.02 | 3haeI | 0.571 | 3.77 | 0.125 | 0.722 | 0.61 | III | complex4.pdb.gz | 27,29,31,33,34,35,36,37 |
| 5 | 0.02 | 1nj9H | 0.547 | 3.44 | 0.090 | 0.665 | 0.61 | NA | complex5.pdb.gz | 29,35,36 |
| 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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