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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 | 2wxkA | 0.330 | 6.49 | 0.042 | 0.570 | 0.16 | RW4 | complex1.pdb.gz | 67,157,166,232 |
| 2 | 0.01 | 1ofdA | 0.374 | 6.29 | 0.050 | 0.614 | 0.34 | F3S | complex2.pdb.gz | 212,220,221,222,227 |
| 3 | 0.01 | 1pwwB | 0.364 | 6.14 | 0.052 | 0.597 | 0.12 | III | complex3.pdb.gz | 139,141,145,158,162,227 |
| 4 | 0.01 | 2wxfA | 0.360 | 6.53 | 0.055 | 0.628 | 0.14 | 039 | complex4.pdb.gz | 66,157,224,225 |
| 5 | 0.01 | 1pwuA | 0.385 | 6.34 | 0.044 | 0.662 | 0.18 | GM6 | complex5.pdb.gz | 18,19,20,21,22,51 |
| 6 | 0.01 | 1o0sA | 0.394 | 5.80 | 0.045 | 0.642 | 0.15 | NAI | complex6.pdb.gz | 133,212,227,236 |
| 7 | 0.01 | 3k28A | 0.363 | 6.16 | 0.058 | 0.601 | 0.16 | PLP | complex7.pdb.gz | 63,155,157 |
| 8 | 0.01 | 1pwwA | 0.384 | 6.26 | 0.073 | 0.652 | 0.13 | III | complex8.pdb.gz | 228,229,230,235,238,279,282 |
| 9 | 0.01 | 1lm1A | 0.398 | 6.61 | 0.047 | 0.710 | 0.11 | FMN | complex9.pdb.gz | 60,165,166,234 |
| 10 | 0.01 | 1ofdB | 0.377 | 6.52 | 0.043 | 0.652 | 0.32 | F3S | complex10.pdb.gz | 214,215,238,239 |
| | 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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