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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 | 1nd2A | 0.523 | 4.39 | 0.077 | 0.850 | 0.16 | MYR | complex1.pdb.gz | 29,31,83 |
| 2 | 0.01 | 2xjpA | 0.520 | 4.14 | 0.047 | 0.827 | 0.33 | MAN | complex2.pdb.gz | 10,42,43,117,119 |
| 3 | 0.01 | 2xjrA | 0.520 | 4.15 | 0.047 | 0.827 | 0.24 | MAN | complex3.pdb.gz | 9,15,122 |
| 4 | 0.01 | 1nd3A | 0.521 | 4.41 | 0.077 | 0.850 | 0.15 | W11 | complex4.pdb.gz | 83,85,100 |
| 5 | 0.01 | 1k5mA | 0.517 | 4.42 | 0.050 | 0.858 | 0.24 | SPH | complex5.pdb.gz | 57,81,83 |
| 6 | 0.01 | 1r091 | 0.516 | 4.59 | 0.058 | 0.866 | 0.22 | JEN | complex6.pdb.gz | 11,23,120 |
| 7 | 0.01 | 2hwe1 | 0.508 | 4.56 | 0.085 | 0.850 | 0.15 | W54 | complex7.pdb.gz | 52,53,54 |
| 8 | 0.01 | 1r081 | 0.515 | 4.59 | 0.049 | 0.866 | 0.20 | W42 | complex8.pdb.gz | 32,58,80,81,82,93,95 |
| 9 | 0.01 | 1fpn1 | 0.514 | 4.52 | 0.060 | 0.850 | 0.22 | III | complex9.pdb.gz | 4,6,121 |
| 10 | 0.01 | 1vrh1 | 0.519 | 4.59 | 0.058 | 0.874 | 0.25 | SD8 | complex10.pdb.gz | 57,83,86 |
| 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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