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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 | 3p5pA | 0.448 | 5.38 | 0.070 | 0.887 | 0.13 | A3C | complex1.pdb.gz | 2,84,114 |
| 2 | 0.01 | 2o01A | 0.377 | 5.32 | 0.034 | 0.758 | 0.34 | PQN | complex2.pdb.gz | 2,3,41,48,49 |
| 3 | 0.01 | 2bvlA | 0.460 | 4.52 | 0.054 | 0.806 | 0.22 | GLC | complex3.pdb.gz | 2,44,81 |
| 4 | 0.01 | 2bvlA | 0.460 | 4.52 | 0.054 | 0.806 | 0.39 | TBR | complex4.pdb.gz | 40,43,44,47,82 |
| 5 | 0.01 | 3p5rB | 0.446 | 5.08 | 0.062 | 0.847 | 0.15 | FGG | complex5.pdb.gz | 53,54,99,107 |
| 6 | 0.01 | 2hmfA | 0.446 | 4.96 | 0.054 | 0.815 | 0.29 | ASP | complex6.pdb.gz | 3,40,41,42,43 |
| 7 | 0.01 | 2ongA | 0.464 | 5.02 | 0.060 | 0.895 | 0.16 | FPG | complex7.pdb.gz | 2,5,7,82,87 |
| 8 | 0.01 | 2f03A | 0.446 | 5.08 | 0.027 | 0.831 | 0.16 | QNA | complex8.pdb.gz | 44,45,101 |
| 9 | 0.01 | 2onhA | 0.465 | 5.08 | 0.043 | 0.911 | 0.11 | F3P | complex9.pdb.gz | 51,56,58 |
| 10 | 0.01 | 2f03C | 0.451 | 5.11 | 0.027 | 0.847 | 0.26 | QNA | complex10.pdb.gz | 3,56,106,116 |
| 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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