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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 | 2wsxB | 0.395 | 5.94 | 0.050 | 0.585 | 0.51 | NM2 | complex1.pdb.gz | 114,327,328,331 |
| 2 | 0.01 | 3gjcB | 0.392 | 6.47 | 0.056 | 0.628 | 0.55 | BOG | complex2.pdb.gz | 121,326,330 |
| 3 | 0.01 | 3gjdA | 0.398 | 6.47 | 0.060 | 0.639 | 0.66 | BOG | complex3.pdb.gz | 115,116,118,121 |
| 4 | 0.01 | 2q6hA | 0.399 | 6.53 | 0.053 | 0.641 | 0.50 | CXX | complex4.pdb.gz | 115,116,119,120,123,246 |
| 5 | 0.01 | 2qeiA | 0.400 | 6.67 | 0.063 | 0.650 | 0.58 | CXX | complex5.pdb.gz | 116,119,120,123,246 |
| 6 | 0.01 | 2wsxC | 0.394 | 6.05 | 0.050 | 0.590 | 0.51 | NM2 | complex6.pdb.gz | 117,121,234,238 |
| 7 | 0.01 | 3ob6A | 0.389 | 6.20 | 0.069 | 0.588 | 0.52 | ARG | complex7.pdb.gz | 116,120,125,328 |
| 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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