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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 | 0.09 | 1brrA | 0.606 | 4.24 | 0.119 | 0.938 | 0.65 | ARC | complex1.pdb.gz | 94,95,98,99,102,106 |
| 2 | 0.08 | 1brrC | 0.606 | 4.17 | 0.107 | 0.931 | 0.61 | ARC | complex2.pdb.gz | 98,101,109 |
| 3 | 0.06 | 2i21A | 0.595 | 4.03 | 0.117 | 0.894 | 0.72 | LI1 | complex3.pdb.gz | 96,99,102,103,106 |
| 4 | 0.05 | 2at9A | 0.603 | 3.68 | 0.090 | 0.863 | 0.69 | 2DP | complex4.pdb.gz | 67,68,71,72,98,101,102,105,106,109,112 |
| 5 | 0.02 | 2at9A | 0.603 | 3.68 | 0.090 | 0.863 | 0.95 | 2DP | complex5.pdb.gz | 97,100,101,104 |
| 6 | 0.01 | 1c8sA | 0.459 | 4.18 | 0.066 | 0.681 | 0.69 | LI1 | complex6.pdb.gz | 71,75,95,98,99,102,105 |
| 7 | 0.01 | 1c8sA | 0.459 | 4.18 | 0.066 | 0.681 | 0.62 | LI1 | complex7.pdb.gz | 101,105,106,109 |
| 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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