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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 | 0.07 | 1ixeB | 0.442 | 4.39 | 0.078 | 0.781 | 0.24 | COA | complex1.pdb.gz | 42,43,44,45,46,71,73 |
| 2 | 0.01 | 1ke2A | 0.429 | 4.00 | 0.067 | 0.711 | 0.11 | III | complex2.pdb.gz | 9,10,11,12,22 |
| 3 | 0.01 | 1eccA | 0.448 | 4.73 | 0.064 | 0.860 | 0.21 | ONL | complex3.pdb.gz | 46,47,52,65,66 |
| 4 | 0.01 | 1scuA | 0.432 | 5.11 | 0.000 | 0.851 | 0.13 | COA | complex4.pdb.gz | 15,16,46 |
| 5 | 0.01 | 1ecgA | 0.431 | 5.00 | 0.044 | 0.851 | 0.38 | ONL | complex5.pdb.gz | 3,51,52,62,63 |
| 6 | 0.01 | 1a59A | 0.450 | 4.38 | 0.059 | 0.781 | 0.25 | COA | complex6.pdb.gz | 20,21,23,44,45,46,74 |
| 7 | 0.01 | 1ecgA | 0.431 | 5.00 | 0.044 | 0.851 | 0.24 | PIN | complex7.pdb.gz | 8,9,46,47 |
| 8 | 0.01 | 1gph3 | 0.440 | 4.88 | 0.037 | 0.851 | 0.19 | AMP | complex8.pdb.gz | 12,16,25,30,47 |
| 9 | 0.01 | 1gph3 | 0.440 | 4.88 | 0.037 | 0.851 | 0.18 | AMP | complex9.pdb.gz | 12,14,51,52,53 |
| 10 | 0.01 | 1kdzA | 0.428 | 4.01 | 0.067 | 0.711 | 0.13 | III | complex10.pdb.gz | 24,45,46,47 |
| 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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