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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 | 0.27 | 3agyA | 0.463 | 2.45 | 0.966 | 0.512 | 0.17 | III | complex1.pdb.gz | 19,20,69 |
| 2 | 0.12 | 3agyB | 0.479 | 2.12 | 0.994 | 0.515 | 0.19 | III | complex2.pdb.gz | 10,57,69 |
| 3 | 0.04 | 2q2g0 | 0.464 | 2.24 | 0.372 | 0.506 | 0.30 | III | complex3.pdb.gz | 44,45,47,49,51 |
| 4 | 0.01 | 3cmxA | 0.420 | 6.47 | 0.042 | 0.700 | 0.15 | ALF | complex4.pdb.gz | 10,13,14,19 |
| 5 | 0.01 | 3cmvG | 0.354 | 7.33 | 0.025 | 0.650 | 0.13 | ANP | complex5.pdb.gz | 10,11,12,14 |
| 6 | 0.01 | 3cmvE | 0.352 | 7.43 | 0.051 | 0.662 | 0.32 | ANP | complex6.pdb.gz | 11,12,13,64 |
| 7 | 0.01 | 3tf4A | 0.404 | 6.56 | 0.048 | 0.673 | 0.11 | BGC | complex7.pdb.gz | 8,9,10 |
| 8 | 0.01 | 1xmvA | 0.195 | 6.45 | 0.040 | 0.321 | 0.11 | ADP | complex8.pdb.gz | 5,56,61 |
| 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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