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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 | 0.01 | 2ibuB | 0.412 | 5.52 | 0.068 | 0.665 | 0.15 | COA | complex1.pdb.gz | 115,141,142,151,180 |
| 2 | 0.01 | 3hb3A | 0.377 | 6.39 | 0.024 | 0.682 | 0.16 | HEA | complex2.pdb.gz | 137,141,144,147,148,191,194,195,198,199 |
| 3 | 0.01 | 2ibwB | 0.410 | 5.52 | 0.068 | 0.661 | 0.12 | COA | complex3.pdb.gz | 115,141,144,145,153 |
| 4 | 0.01 | 3ehbA | 0.350 | 6.27 | 0.056 | 0.640 | 0.10 | HEA | complex4.pdb.gz | 21,155,156,159,160,164,168,199,202 |
| 5 | 0.01 | 2gsmA | 0.372 | 5.01 | 0.033 | 0.572 | 0.15 | HEA | complex5.pdb.gz | 109,114,117,144,152,194,197 |
| 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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