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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 | 0.48 | 3i4bA | 0.364 | 3.25 | 0.256 | 0.393 | 1.42 | Z48 | complex1.pdb.gz | 446,447,448,450,452,465,467,516,517,519,520,525,567,569,579,580 |
| 2 | 0.20 | 3gb2A | 0.361 | 3.16 | 0.263 | 0.387 | 0.97 | G3B | complex2.pdb.gz | 444,449,452,516,517,518,519,522,525,569,580 |
| 3 | 0.19 | 3rp0C | 0.353 | 2.55 | 0.222 | 0.372 | 1.37 | ANP | complex3.pdb.gz | 449,450,452,467,517,519,566,567,569,580 |
| 4 | 0.05 | 1unl0 | 0.353 | 1.90 | 0.412 | 0.365 | 1.22 | III | complex4.pdb.gz | 483,484,487,488,490,491,556,557,558,585,586,587,588,589,593,594,595 |
| 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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