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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 | 1mqdA | 0.140 | 6.86 | 0.039 | 0.221 | 0.13 | SHI | complex1.pdb.gz | 8,10,18,63 |
| 2 | 0.01 | 3rtwF | 0.135 | 6.05 | 0.020 | 0.192 | 0.13 | NWD | complex2.pdb.gz | 17,19,60 |
| 3 | 0.01 | 1lbcA | 0.123 | 6.77 | 0.026 | 0.190 | 0.17 | CYZ | complex3.pdb.gz | 34,37,62 |
| 4 | 0.01 | 3kg2D | 0.242 | 7.21 | 0.019 | 0.385 | 0.11 | ZK1 | complex4.pdb.gz | 9,56,63 |
| 5 | 0.01 | 3kfmA | 0.134 | 6.43 | 0.034 | 0.202 | 0.15 | KAI | complex5.pdb.gz | 17,38,39,61 |
| 6 | 0.01 | 2cmoB | 0.134 | 6.02 | 0.025 | 0.190 | 0.17 | GLU | complex6.pdb.gz | 8,9,17 |
| 7 | 0.01 | 3b7dB | 0.134 | 6.40 | 0.034 | 0.198 | 0.10 | CNI | complex7.pdb.gz | 37,62,64,67 |
| 8 | 0.01 | 1m5cA | 0.121 | 6.30 | 0.037 | 0.176 | 0.14 | BRH | complex8.pdb.gz | 26,52,55 |
| 9 | 0.01 | 3dlnA | 0.135 | 6.09 | 0.010 | 0.192 | 0.26 | GLU | complex9.pdb.gz | 2,3,4,51,52 |
| 10 | 0.01 | 3fatA | 0.135 | 6.21 | 0.020 | 0.194 | 0.15 | AMQ | complex10.pdb.gz | 38,39,55 |
| 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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