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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 | 1i7x3 | 0.424 | 6.04 | 0.106 | 0.600 | 0.11 | III | complex1.pdb.gz | 188,371,455,456,459,460 |
| 2 | 0.01 | 1w9c0 | 0.309 | 4.70 | 0.080 | 0.389 | 0.10 | III | complex2.pdb.gz | 190,191,197,199,202,206 |
| 3 | 0.01 | 2c1m0 | 0.452 | 5.49 | 0.066 | 0.610 | 0.15 | III | complex3.pdb.gz | 305,365,366,372,375,392,393,465,469 |
| 4 | 0.01 | 1bk50 | 0.457 | 5.25 | 0.070 | 0.600 | 0.13 | III | complex4.pdb.gz | 461,465,469 |
| 5 | 0.01 | 2c1t0 | 0.452 | 5.27 | 0.067 | 0.597 | 0.11 | III | complex5.pdb.gz | 205,213,461,465,468 |
| 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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