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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 | 1t49A | 0.451 | 3.71 | 0.019 | 0.942 | 0.24 | 892 | complex1.pdb.gz | 3,12,33 |
| 2 | 0.01 | 2hy3A | 0.452 | 3.38 | 0.060 | 0.885 | 0.28 | VO4 | complex2.pdb.gz | 30,32,33,34,35 |
| 3 | 0.01 | 1aaxA | 0.455 | 3.69 | 0.019 | 0.942 | 0.15 | BPM | complex3.pdb.gz | 17,18,19 |
| 4 | 0.01 | 2f6vA | 0.455 | 3.68 | 0.019 | 0.942 | 0.14 | SK2 | complex4.pdb.gz | 2,3,4,14,31 |
| 5 | 0.01 | 1qz0A | 0.335 | 3.69 | 0.039 | 0.635 | 0.15 | III | complex5.pdb.gz | 29,31,32 |
| 6 | 0.01 | 1ytwA | 0.435 | 3.68 | 0.039 | 0.942 | 0.30 | WO4 | complex6.pdb.gz | 10,11,12,35 |
| 7 | 0.01 | 1ygrA | 0.459 | 3.38 | 0.077 | 0.923 | 0.11 | III | complex7.pdb.gz | 8,28,29,30 |
| 8 | 0.01 | 1yguA | 0.466 | 3.34 | 0.058 | 0.923 | 0.16 | III | complex8.pdb.gz | 29,30,31 |
| 9 | 0.01 | 1q6jA | 0.451 | 3.57 | 0.019 | 0.923 | 0.14 | 335 | complex9.pdb.gz | 19,20,21 |
| 10 | 0.01 | 3bltA | 0.324 | 3.80 | 0.020 | 0.654 | 0.20 | PSY | complex10.pdb.gz | 16,17,18 |
| 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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