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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 | 0.48 | 2y5iA | 0.865 | 1.74 | 0.500 | 0.990 | 1.17 | CA | complex1.pdb.gz | 19,22,23,24,32 |
| 2 | 0.21 | 1ij6A | 0.749 | 2.35 | 0.176 | 0.895 | 1.03 | CA | complex2.pdb.gz | 20,23,25,27,32 |
| 3 | 0.17 | 1nx1A | 0.718 | 2.24 | 0.126 | 0.916 | 1.08 | CA | complex3.pdb.gz | 20,22,24,27,29 |
| 4 | 0.08 | 1bt6A | 0.810 | 1.94 | 0.429 | 0.958 | 1.40 | III | complex4.pdb.gz | 41,44,47,48,84,85,88,93 |
| 5 | 0.07 | 1k960 | 0.833 | 1.43 | 0.337 | 0.937 | 1.38 | III | complex5.pdb.gz | 1,2,3,4,5,7,8,9,11,12,14,16,40,41,71,75,78,79,82,83,85,86 |
| 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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