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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 | 2ydfB | 0.376 | 5.70 | 0.079 | 0.635 | 0.40 | IO3 | complex1.pdb.gz | 143,147,151 |
| 2 | 0.01 | 1g6iA | 0.417 | 6.10 | 0.059 | 0.722 | 0.43 | UUU | complex2.pdb.gz | 49,64,73,145 |
| 3 | 0.01 | 2b56A | 0.414 | 5.33 | 0.037 | 0.656 | 0.46 | U5P | complex3.pdb.gz | 47,48,49,50 |
| 4 | 0.01 | 1dl2A | 0.417 | 6.10 | 0.064 | 0.722 | 0.42 | UUU | complex4.pdb.gz | 49,64,139,141,142,145 |
| 5 | 0.01 | 2vufA | 0.397 | 5.51 | 0.051 | 0.652 | 0.42 | FUA | complex5.pdb.gz | 144,147,148,166 |
| 6 | 0.01 | 1g6iA | 0.417 | 6.10 | 0.059 | 0.722 | 0.51 | DMJ | complex6.pdb.gz | 48,49,50,137,141 |
| 7 | 0.01 | 2vufB | 0.311 | 5.60 | 0.030 | 0.509 | 0.41 | FUA | complex7.pdb.gz | 144,147,148,172 |
| 8 | 0.01 | 1e7cA | 0.414 | 5.13 | 0.035 | 0.630 | 0.74 | HLT | complex8.pdb.gz | 114,117,118 |
| 9 | 0.01 | 2bxiA | 0.415 | 5.12 | 0.041 | 0.630 | 0.44 | MYR | complex9.pdb.gz | 63,144,148 |
| 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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