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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 | 0.02 | 1ibr1 | 0.610 | 2.77 | 0.063 | 0.667 | 0.68 | III | complex1.pdb.gz | 13,14,15,16,21,25,58,59,62,63,65,70,71,124,170,173,174,256,291,294,295,298,302,305 |
| 2 | 0.01 | 1y2aC | 0.438 | 5.12 | 0.039 | 0.558 | 0.42 | III | complex2.pdb.gz | 49,116,124,127,163,166,170,174,213,217 |
| 3 | 0.01 | 2c1m0 | 0.414 | 5.57 | 0.042 | 0.543 | 0.42 | III | complex3.pdb.gz | 126,163,167,205,206,209,213,219,256,259,260,263,290,291,295,298,302 |
| 4 | 0.01 | 3c2gA | 0.447 | 6.36 | 0.032 | 0.622 | 0.49 | III | complex4.pdb.gz | 216,217,252,260,263,269,298,302 |
| 5 | 0.01 | 1q1sC | 0.443 | 5.25 | 0.048 | 0.569 | 0.50 | III | complex5.pdb.gz | 57,124,127,166,170,173,213,217,256,260,290,291 |
| 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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