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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 | 1u0wB | 0.464 | 5.93 | 0.056 | 0.817 | 0.17 | STL | complex1.pdb.gz | 29,30,31,80,97 |
| 2 | 0.01 | 1tedB | 0.454 | 6.15 | 0.021 | 0.836 | 0.11 | MYR | complex2.pdb.gz | 28,29,56,129 |
| 3 | 0.01 | 3g11A | 0.458 | 5.56 | 0.048 | 0.779 | 0.12 | P9C | complex3.pdb.gz | 28,29,87 |
| 4 | 0.01 | 2vb8A | 0.459 | 5.56 | 0.049 | 0.779 | 0.15 | TLM | complex4.pdb.gz | 56,91,93 |
| 5 | 0.01 | 1fj4A | 0.459 | 5.52 | 0.065 | 0.779 | 0.14 | TLM | complex5.pdb.gz | 27,28,29,53,127 |
| 6 | 0.01 | 1cgzA | 0.463 | 5.87 | 0.066 | 0.812 | 0.15 | STL | complex6.pdb.gz | 12,13,14,120,121 |
| 7 | 0.01 | 2aqbB | 0.459 | 5.62 | 0.071 | 0.784 | 0.18 | TL6 | complex7.pdb.gz | 29,56,163,164,165,166 |
| 8 | 0.01 | 3ho2A | 0.459 | 5.65 | 0.038 | 0.784 | 0.10 | N32 | complex8.pdb.gz | 84,120,121 |
| 9 | 0.01 | 3ho9A | 0.452 | 5.85 | 0.041 | 0.798 | 0.14 | N3A | complex9.pdb.gz | 119,120,121,163 |
| 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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