|
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 | 0.49 | 2uusA | 0.594 | 1.44 | 0.415 | 0.628 | 1.53 | SCR | complex1.pdb.gz | 69,166,167,172,176,178,181,182 |
| 2 | 0.40 | 1ihk0 | 0.709 | 1.75 | 0.815 | 0.754 | 1.71 | III | complex2.pdb.gz | 56,57,61,63,66,68,72,87,142,143,187,188,189,190,191,193,194,199 |
| 3 | 0.36 | 2ermA | 0.581 | 2.00 | 0.409 | 0.628 | 1.54 | UUU | complex3.pdb.gz | 68,69,70,166,167,171,172,173,176,181,182,183 |
| 4 | 0.28 | 2hw9B | 0.599 | 1.64 | 0.393 | 0.633 | 0.85 | SO4 | complex4.pdb.gz | 69,166,167 |
| 5 | 0.27 | 2k8rA | 0.516 | 2.74 | 0.354 | 0.614 | 1.05 | IHP | complex5.pdb.gz | 172,175,176,179,181,183 |
| 6 | 0.22 | 1e0o0 | 0.594 | 1.17 | 0.422 | 0.618 | 1.44 | III | complex6.pdb.gz | 66,72,85,101,138,139,141,143,144,145,187,188,189 |
| 7 | 0.07 | 1evt1 | 0.598 | 1.33 | 0.415 | 0.628 | 1.40 | III | complex7.pdb.gz | 66,68,70,85,96,98,99,100,101,104,137,139,143,144,145,187,188,189 |
| 8 | 0.06 | 1rmlA | 0.544 | 2.26 | 0.403 | 0.618 | 1.01 | NTS | complex8.pdb.gz | 116,118,126,127,128,130,131,132,133 |
| 9 | 0.02 | 2ihoA | 0.592 | 3.00 | 0.063 | 0.691 | 1.07 | UUU | complex9.pdb.gz | 116,118,126,127,131 |
| 10 | 0.02 | 3ca0A | 0.598 | 3.74 | 0.062 | 0.744 | 0.97 | UUU | complex10.pdb.gz | 79,118,126 |
| 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. |
|