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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 | 0.01 | 2q8iA | 0.429 | 4.73 | 0.060 | 0.580 | 0.44 | RDC | complex1.pdb.gz | 168,171,172,175,221,292 |
| 2 | 0.01 | 2bu7A | 0.425 | 4.50 | 0.046 | 0.563 | 0.56 | TF3 | complex2.pdb.gz | 24,26,133,171,174,175,178,209,210,214 |
| 3 | 0.01 | 2bu8A | 0.441 | 4.30 | 0.043 | 0.577 | 0.83 | TF4 | complex3.pdb.gz | 21,170,171,174,210,213,214 |
| 4 | 0.01 | 1y8pA | 0.435 | 4.10 | 0.067 | 0.563 | 0.46 | ATP | complex4.pdb.gz | 171,174,175,178,179,210,211,213,215 |
| 5 | 0.01 | 3mjoA | 0.382 | 5.35 | 0.046 | 0.546 | 0.90 | MN3 | complex5.pdb.gz | 132,170,173 |
| 6 | 0.01 | 2bu6A | 0.424 | 4.18 | 0.041 | 0.546 | 0.44 | TF2 | complex6.pdb.gz | 171,174,175,210,213 |
| 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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