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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 | 1ofdA | 0.254 | 8.39 | 0.046 | 0.385 | 0.36 | F3S | complex1.pdb.gz | 87,88,89,91,92,104,119,120 |
| 2 | 0.01 | 3cmvA | 0.161 | 8.27 | 0.046 | 0.242 | 0.14 | ANP | complex2.pdb.gz | 91,92,103,105,117 |
| 3 | 0.01 | 3cmvB | 0.154 | 8.93 | 0.034 | 0.245 | 0.20 | ANP | complex3.pdb.gz | 87,88,91,92 |
| 4 | 0.01 | 3cmvD | 0.181 | 8.64 | 0.028 | 0.281 | 0.13 | ANP | complex4.pdb.gz | 15,106,109 |
| 5 | 0.01 | 1llwA | 0.253 | 8.11 | 0.030 | 0.374 | 0.12 | FMN | complex5.pdb.gz | 89,90,107,119,120,121 |
| 6 | 0.01 | 1ea0A | 0.241 | 8.81 | 0.052 | 0.380 | 0.15 | FMN | complex6.pdb.gz | 87,311,315,316 |
| 7 | 0.01 | 3cmvG | 0.158 | 8.34 | 0.048 | 0.237 | 0.12 | ANP | complex7.pdb.gz | 89,90,91,92,106 |
| 8 | 0.01 | 3cmvE | 0.157 | 8.38 | 0.061 | 0.236 | 0.21 | ANP | complex8.pdb.gz | 105,107,108,109,110 |
| 9 | 0.01 | 1ofdB | 0.255 | 8.27 | 0.033 | 0.380 | 0.23 | F3S | complex9.pdb.gz | 104,105,106,107,108,109 |
| 10 | 0.01 | 1ea0A | 0.241 | 8.81 | 0.052 | 0.380 | 0.15 | OMT | complex10.pdb.gz | 91,92,108 |
| 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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