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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 | 0.46 | 3vglA | 0.822 | 2.75 | 0.224 | 0.952 | 1.17 | BGC | Download | 65,66,110,111,138,139,158,161 |
| 2 | 0.27 | 3vglA | 0.822 | 2.75 | 0.224 | 0.952 | 1.06 | NA | Download | 110,112,113,140,156,157,158 |
| 3 | 0.18 | 2qm1A | 0.843 | 2.79 | 0.237 | 0.973 | 1.35 | MG | Download | 110,112,113,141 |
| 4 | 0.10 | 2gupA | 0.880 | 2.15 | 0.204 | 0.959 | 1.24 | SUC | Download | 11,18,115,235,236,272,273,276 |
| 5 | 0.09 | 1hkbA | 0.783 | 3.51 | 0.113 | 0.959 | 0.88 | G6P | Download | 11,14,65,111,135,136,276 |
| 6 | 0.08 | 3lm9A | 0.843 | 1.80 | 0.216 | 0.907 | 1.34 | ADP | Download | 135,136,175,176,179,191,192,235,236,239,240 |
| 7 | 0.05 | 2aa40 | 0.865 | 1.89 | 0.217 | 0.935 | 0.90 | III | Download | 128,144,151,152,153,154,155,156,157,158,161,162,163,164,217,220,221,223,224,225,227 |
| 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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