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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 | 1yiqA | 0.454 | 5.21 | 0.032 | 0.750 | 0.18 | HEM | complex1.pdb.gz | 11,27,29,30,175,189 |
| 2 | 0.01 | 2zuxB | 0.355 | 6.24 | 0.022 | 0.673 | 0.24 | RAM | complex2.pdb.gz | 161,163,169 |
| 3 | 0.01 | 3abkN | 0.378 | 5.50 | 0.038 | 0.659 | 0.12 | HEA | complex3.pdb.gz | 20,33,36,39,40 |
| 4 | 0.01 | 1ocoA | 0.441 | 6.38 | 0.060 | 0.861 | 0.15 | UUU | complex4.pdb.gz | 23,171,175,189,190,193,194 |
| 5 | 0.01 | 1yiqA | 0.454 | 5.21 | 0.032 | 0.750 | 0.13 | PQQ | complex5.pdb.gz | 17,18,23,29,190 |
| 6 | 0.01 | 2einN | 0.382 | 5.58 | 0.033 | 0.663 | 0.11 | HEA | complex6.pdb.gz | 19,20,30,33,36,37 |
| 7 | 0.01 | 1v54A | 0.385 | 5.64 | 0.045 | 0.668 | 0.12 | HEA | complex7.pdb.gz | 160,163,166,167,181 |
| 8 | 0.01 | 3czlA | 0.378 | 5.53 | 0.046 | 0.649 | 0.12 | GLC | complex8.pdb.gz | 28,35,171,172 |
| 9 | 0.01 | 2dysN | 0.441 | 5.72 | 0.054 | 0.779 | 0.12 | HEA | complex9.pdb.gz | 28,35,36,153,154,157,171,175,186,190 |
| 10 | 0.01 | 3abkA | 0.462 | 6.07 | 0.047 | 0.851 | 0.13 | UUU | complex10.pdb.gz | 30,33,37 |
| 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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