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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 | 1ofdA | 0.431 | 5.79 | 0.050 | 0.656 | 0.36 | F3S | complex1.pdb.gz | 238,239,240,256,273,274 |
| 2 | 0.01 | 2eweA | 0.385 | 4.59 | 0.043 | 0.506 | 0.16 | ADA | complex2.pdb.gz | 220,226,257,262 |
| 3 | 0.01 | 3b8yA | 0.372 | 5.09 | 0.030 | 0.509 | 0.20 | ADA | complex3.pdb.gz | 238,240,273,274,275,276,314 |
| 4 | 0.01 | 1ofdA | 0.431 | 5.79 | 0.050 | 0.656 | 0.10 | FMN | complex4.pdb.gz | 239,240,243 |
| 5 | 0.01 | 3sucA | 0.384 | 4.38 | 0.050 | 0.485 | 0.23 | ATP | complex5.pdb.gz | 238,239,302,303 |
| 6 | 0.01 | 1vh40 | 0.400 | 5.38 | 0.039 | 0.558 | 0.18 | III | complex6.pdb.gz | 223,224,225,226,227,228,229,232,234,235,236,237,238,239 |
| 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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