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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 | 0.52 | 2a1rA | 0.728 | 2.69 | 0.212 | 0.812 | 1.31 | QNA | complex1.pdb.gz | 40,41,42,43,46,112,115,156,157,196,208,209,225 |
| 2 | 0.24 | 3d45A | 0.763 | 3.12 | 0.186 | 0.870 | 0.86 | UUU | complex2.pdb.gz | 43,46,156,157,160,196,207,208,209 |
| 3 | 0.09 | 1j54A | 0.521 | 2.43 | 0.145 | 0.579 | 0.99 | TMP | complex3.pdb.gz | 40,41,42,43,115,160,225,230 |
| 4 | 0.06 | 2xy8A | 0.518 | 2.41 | 0.140 | 0.575 | 0.85 | CA | complex4.pdb.gz | 40,42,227,230 |
| 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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