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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 | 0.04 | 2p4sA | 0.699 | 2.53 | 0.078 | 1.000 | 0.14 | DIH | complex1.pdb.gz | 12,13,17,18,19,37,40 |
| 2 | 0.04 | 1wtaA | 0.659 | 2.55 | 0.080 | 0.980 | 0.22 | ADE | complex2.pdb.gz | 17,18,20,35 |
| 3 | 0.03 | 2p4sC | 0.689 | 2.53 | 0.078 | 1.000 | 0.13 | DIH | complex3.pdb.gz | 21,29,32 |
| 4 | 0.03 | 2q2rA | 0.651 | 2.42 | 0.040 | 0.980 | 0.40 | ADP | complex4.pdb.gz | 20,26,29,35 |
| 5 | 0.02 | 3vgmA | 0.653 | 2.34 | 0.060 | 0.980 | 0.18 | BGC | complex5.pdb.gz | 17,18,19,41 |
| 6 | 0.02 | 3ievA | 0.660 | 2.34 | 0.059 | 0.922 | 0.18 | GNP | complex6.pdb.gz | 16,17,18,19,34,35 |
| 7 | 0.01 | 3kalA | 0.688 | 2.63 | 0.061 | 0.922 | 0.18 | HGS | complex7.pdb.gz | 13,14,18,19 |
| 8 | 0.01 | 3vglA | 0.666 | 2.31 | 0.060 | 0.980 | 0.17 | ANP | complex8.pdb.gz | 6,7,10,11,13,20,21 |
| 9 | 0.01 | 3echB | 0.321 | 3.30 | 0.000 | 0.647 | 0.38 | III | complex9.pdb.gz | 1,3,4,6,7,9,10,13,14,17,36,40 |
| 10 | 0.01 | 1jdzA | 0.653 | 2.38 | 0.022 | 0.902 | 0.22 | FMB | complex10.pdb.gz | 18,19,31 |
| 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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