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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 | 0.05 | 1g8xA | 0.454 | 5.21 | 0.065 | 0.809 | 0.12 | ADP | complex1.pdb.gz | 12,61,62 |
| 2 | 0.01 | 3cmvG | 0.352 | 5.61 | 0.048 | 0.662 | 0.17 | ANP | complex2.pdb.gz | 33,36,37 |
| 3 | 0.01 | 1xmsA | 0.174 | 4.53 | 0.000 | 0.280 | 0.13 | ANP | complex3.pdb.gz | 9,10,11,12 |
| 4 | 0.01 | 1xmvA | 0.223 | 5.04 | 0.063 | 0.408 | 0.17 | ADP | complex4.pdb.gz | 8,9,10,11,58,61 |
| 5 | 0.01 | 1uf2A | 0.439 | 5.36 | 0.047 | 0.809 | 0.30 | III | complex5.pdb.gz | 10,11,12,13,14,20,39 |
| 6 | 0.01 | 3cmvC | 0.328 | 5.64 | 0.027 | 0.612 | 0.20 | ANP | complex6.pdb.gz | 10,11,16,20,21 |
| 7 | 0.01 | 3cmvC | 0.328 | 5.64 | 0.027 | 0.612 | 0.34 | ANP | complex7.pdb.gz | 15,16,17,18,19,20 |
| 8 | 0.01 | 2jhrA | 0.281 | 4.49 | 0.013 | 0.427 | 0.11 | AD9 | complex8.pdb.gz | 62,63,64,65,66 |
| 9 | 0.01 | 3myhX | 0.254 | 4.98 | 0.049 | 0.420 | 0.11 | UUU | complex9.pdb.gz | 10,11,16,45 |
| 10 | 0.01 | 1mmdA | 0.256 | 5.44 | 0.048 | 0.484 | 0.12 | UUU | complex10.pdb.gz | 60,61,62 |
| 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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