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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 | 0.94 | 3ryfB | 0.959 | 0.91 | 0.988 | 0.971 | 1.96 | GTP | complex1.pdb.gz | 10,11,12,15,96,97,98,99,138,141,142,143,144,171,175,177,181,204,222,226 |
| 2 | 0.86 | 3n2gD | 0.945 | 0.96 | 0.991 | 0.960 | 1.95 | GDP | complex2.pdb.gz | 10,11,12,16,138,140,143,144,177,204,222,225,226 |
| 3 | 0.50 | 3e22B | 0.929 | 0.90 | 0.993 | 0.942 | 1.70 | TZT | complex3.pdb.gz | 11,15,175,176,177,220,221,222,223 |
| 4 | 0.28 | 3e22C | 0.895 | 1.54 | 0.424 | 0.928 | 1.76 | MG | complex4.pdb.gz | 96,99,142,143 |
| 5 | 0.15 | 3n2kB | 0.933 | 0.84 | 0.983 | 0.944 | 0.98 | K2N | complex5.pdb.gz | 4,134,165,198,236,239,240,246,250,253,257 |
| 6 | 0.15 | 1jffB | 0.906 | 1.90 | 0.972 | 0.955 | 0.94 | TA1 | complex6.pdb.gz | 23,26,27,227,228,231,234,270,272,273,358,359,360 |
| 7 | 0.07 | 2btq0 | 0.917 | 1.95 | 0.348 | 0.957 | 1.12 | III | complex7.pdb.gz | 29,30,245,355,359,362 |
| 8 | 0.07 | 2btq1 | 0.917 | 1.95 | 0.348 | 0.957 | 0.85 | III | complex8.pdb.gz | 129,251,252,254,255,256,258,259,260,261,312 |
| 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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