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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 | 1mwhA | 0.479 | 5.01 | 0.041 | 0.752 | 0.15 | GTG | complex1.pdb.gz | 20,96,97,99,100,123 |
| 2 | 0.01 | 2p5oB | 0.431 | 4.95 | 0.083 | 0.654 | 0.15 | QNA | complex2.pdb.gz | 69,72,91 |
| 3 | 0.01 | 1t9wA | 0.455 | 5.36 | 0.065 | 0.748 | 0.28 | NFN | complex3.pdb.gz | 38,80,141 |
| 4 | 0.01 | 2oyqA | 0.426 | 5.10 | 0.056 | 0.673 | 0.39 | N5P | complex4.pdb.gz | 96,97,98,124,125 |
| 5 | 0.01 | 3aodC | 0.458 | 5.67 | 0.087 | 0.799 | 0.10 | RFP | complex5.pdb.gz | 36,37,38,75,76,82 |
| 6 | 0.01 | 1n35A | 0.470 | 4.97 | 0.047 | 0.734 | 0.27 | CH1 | complex6.pdb.gz | 39,73,77 |
| 7 | 0.01 | 3tafD | 0.428 | 5.23 | 0.057 | 0.664 | 0.11 | QNA | complex7.pdb.gz | 49,80,81 |
| 8 | 0.01 | 1n1hA | 0.470 | 5.02 | 0.047 | 0.734 | 0.21 | CH1 | complex8.pdb.gz | 72,73,74,77,151 |
| 9 | 0.01 | 2dtuA | 0.437 | 4.72 | 0.057 | 0.659 | 0.23 | UUU | complex9.pdb.gz | 37,75,82,86,87 |
| 10 | 0.01 | 2p5oA | 0.426 | 5.06 | 0.075 | 0.668 | 0.23 | QNA | complex10.pdb.gz | 37,75,82,86,87,137 |
| | 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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