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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 | 1fo4A | 0.326 | 7.32 | 0.043 | 0.513 | 0.51 | FES | complex1.pdb.gz | 129,130,132,181,183,186 |
| 2 | 0.01 | 2ckjD | 0.278 | 8.32 | 0.035 | 0.485 | 0.59 | FES | complex2.pdb.gz | 141,142,143,145,147,152 |
| 3 | 0.01 | 2ckjA | 0.309 | 8.08 | 0.044 | 0.531 | 0.62 | FES | complex3.pdb.gz | 131,132,182,183,184,185 |
| 4 | 0.01 | 3eubS | 0.125 | 5.22 | 0.060 | 0.164 | 0.61 | FES | complex4.pdb.gz | 132,133,134,138,139,185,188 |
| 5 | 0.01 | 1fiqA | 0.129 | 5.43 | 0.072 | 0.172 | 0.52 | FAD | complex5.pdb.gz | 131,132,188 |
| 6 | 0.01 | 2rddA | 0.328 | 8.06 | 0.071 | 0.560 | 0.51 | AIC | complex6.pdb.gz | 142,463,464,465,466 |
| 7 | 0.01 | 2e1qC | 0.312 | 7.80 | 0.060 | 0.527 | 0.57 | BCT | complex7.pdb.gz | 100,101,129,183,184,187 |
| 8 | 0.01 | 1fiqA | 0.129 | 5.43 | 0.072 | 0.172 | 0.63 | FES | complex8.pdb.gz | 139,140,141,187,189 |
| 9 | 0.01 | 2is1B | 0.332 | 8.08 | 0.046 | 0.575 | 0.75 | QNA | complex9.pdb.gz | 141,146,148,150,151 |
| 10 | 0.01 | 2is1A | 0.339 | 7.68 | 0.047 | 0.566 | 0.54 | QNA | complex10.pdb.gz | 140,152,154,155 |
| 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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