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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 | 3cx5N | 0.483 | 5.31 | 0.033 | 0.849 | 0.21 | HEM | complex1.pdb.gz | 9,12,15,22,25,26,29 |
| 2 | 0.01 | 3pw8C | 0.527 | 4.56 | 0.034 | 0.819 | 0.17 | ACO | complex2.pdb.gz | 5,6,9,10,13,14,153 |
| 3 | 0.01 | 2ibzC | 0.490 | 5.13 | 0.047 | 0.831 | 0.13 | SMA | complex3.pdb.gz | 15,149,150,153 |
| 4 | 0.01 | 2zxwA | 0.495 | 5.09 | 0.075 | 0.868 | 0.11 | UUU | complex4.pdb.gz | 40,41,48,50,53,54,97,100,101 |
| 5 | 0.01 | 3o0rB | 0.510 | 4.90 | 0.060 | 0.868 | 0.16 | HEM | complex5.pdb.gz | 35,36,42,50,54,58 |
| 6 | 0.01 | 3cx5C | 0.475 | 5.22 | 0.039 | 0.825 | 0.12 | SMA | complex6.pdb.gz | 12,77,79,85,90,93 |
| 7 | 0.01 | 3cxhC | 0.477 | 5.24 | 0.047 | 0.825 | 0.13 | HEM | complex7.pdb.gz | 12,13,15,16,146 |
| 8 | 0.01 | 3cx5N | 0.483 | 5.31 | 0.033 | 0.849 | 0.13 | SMA | complex8.pdb.gz | 9,13,141,142,147 |
| 9 | 0.01 | 2y69N | 0.399 | 5.24 | 0.044 | 0.669 | 0.11 | HEA | complex9.pdb.gz | 79,83,86,87,90,93 |
| 10 | 0.01 | 1ezvC | 0.478 | 5.10 | 0.027 | 0.813 | 0.14 | SMA | complex10.pdb.gz | 40,146,153 |
| 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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