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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 | 0.04 | 2xw1B | 0.626 | 2.45 | 0.093 | 0.926 | 0.23 | 9NV | complex1.pdb.gz | 21,22,30,33,38 |
| 2 | 0.03 | 2xw0A | 0.617 | 2.50 | 0.093 | 0.926 | 0.22 | 9NF | complex2.pdb.gz | 11,12,15,16,18,31 |
| 3 | 0.02 | 2d2mD | 0.632 | 2.80 | 0.077 | 0.963 | 0.13 | UUU | complex3.pdb.gz | 13,23,24,30,33 |
| 4 | 0.02 | 2bxqA | 0.634 | 2.56 | 0.093 | 0.926 | 0.23 | P1Z | complex4.pdb.gz | 12,15,19 |
| 5 | 0.02 | 2xvwA | 0.628 | 2.52 | 0.093 | 0.926 | 0.24 | MYR | complex5.pdb.gz | 28,31,47 |
| 6 | 0.01 | 2xvqA | 0.620 | 2.47 | 0.093 | 0.926 | 0.18 | 9DS | complex6.pdb.gz | 6,7,10,11 |
| 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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