|
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 | 1nyyA | 0.465 | 4.22 | 0.059 | 0.735 | 0.18 | 105 | complex1.pdb.gz | 11,14,29,30 |
| 2 | 0.01 | 3lceB | 0.376 | 5.45 | 0.074 | 0.795 | 0.19 | LCE | complex2.pdb.gz | 15,16,127,128 |
| 3 | 0.01 | 2wkhB | 0.460 | 4.15 | 0.078 | 0.727 | 0.22 | ZZ7 | complex3.pdb.gz | 7,30,32,127,128 |
| 4 | 0.01 | 2wkhA | 0.357 | 5.91 | 0.050 | 0.803 | 0.17 | ZZ7 | complex4.pdb.gz | 4,46,47,130 |
| 5 | 0.01 | 1axbA | 0.474 | 4.15 | 0.088 | 0.758 | 0.21 | FOS | complex5.pdb.gz | 31,127,128,129 |
| 6 | 0.01 | 2wgiB | 0.463 | 4.37 | 0.106 | 0.750 | 0.14 | PNM | complex6.pdb.gz | 10,11,57 |
| 7 | 0.01 | 2v4cA | 0.468 | 4.67 | 0.054 | 0.818 | 0.13 | KDN | complex7.pdb.gz | 5,42,44 |
| 8 | 0.01 | 3niaA | 0.469 | 4.47 | 0.057 | 0.773 | 0.15 | TF7 | complex8.pdb.gz | 9,29,48,129 |
| 9 | 0.01 | 1temA | 0.465 | 4.23 | 0.069 | 0.735 | 0.18 | ALP | complex9.pdb.gz | 16,99,101 |
| 10 | 0.01 | 1ermA | 0.464 | 4.13 | 0.059 | 0.720 | 0.16 | BJI | complex10.pdb.gz | 57,126,127,128 |
| 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. |
|