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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 | 1f59A | 0.260 | 6.77 | 0.089 | 0.356 | 0.11 | III | complex1.pdb.gz | 28,77,105,106 |
| 2 | 0.01 | 2z5kA | 0.361 | 7.76 | 0.037 | 0.527 | 0.12 | III | complex2.pdb.gz | 25,108,111,115 |
| 3 | 0.01 | 3b2pA | 0.348 | 8.46 | 0.040 | 0.527 | 0.13 | ARG | complex3.pdb.gz | 65,66,67,74,112 |
| 4 | 0.01 | 2ot8A | 0.371 | 7.49 | 0.054 | 0.525 | 0.18 | III | complex4.pdb.gz | 26,72,75,76,79 |
| 5 | 0.01 | 2ot8B | 0.376 | 7.59 | 0.045 | 0.539 | 0.11 | III | complex5.pdb.gz | 25,106,110,114,118,154,158 |
| 6 | 0.01 | 1qgrA | 0.362 | 8.26 | 0.043 | 0.549 | 0.10 | III | complex6.pdb.gz | 119,155,162 |
| 7 | 0.01 | 2dqmA | 0.346 | 8.56 | 0.043 | 0.530 | 0.12 | BES | complex7.pdb.gz | 25,66,67,720 |
| 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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