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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 | 2z1qB | 0.488 | 4.22 | 0.063 | 0.779 | 0.36 | FAD | complex1.pdb.gz | 107,108,110,111 |
| 2 | 0.01 | 2y55A | 0.481 | 4.36 | 0.017 | 0.800 | 0.17 | FP5 | complex2.pdb.gz | 4,107,108 |
| 3 | 0.01 | 2y55B | 0.479 | 4.47 | 0.034 | 0.793 | 0.32 | FP5 | complex3.pdb.gz | 2,4,79,110,111 |
| 4 | 0.01 | 1rx0D | 0.497 | 4.05 | 0.034 | 0.750 | 0.14 | FAD | complex4.pdb.gz | 9,11,12,15,16,17 |
| 5 | 0.01 | 1ivhC | 0.490 | 4.09 | 0.065 | 0.750 | 0.15 | COS | complex5.pdb.gz | 110,111,124 |
| 6 | 0.01 | 2ix6E | 0.504 | 4.34 | 0.079 | 0.814 | 0.20 | FAD | complex6.pdb.gz | 2,104,106,107 |
| 7 | 0.01 | 2xlnC | 0.477 | 4.43 | 0.035 | 0.786 | 0.17 | EWA | complex7.pdb.gz | 9,99,100,101 |
| 8 | 0.01 | 2xdmB | 0.482 | 4.50 | 0.035 | 0.800 | 0.22 | BO8 | complex8.pdb.gz | 8,24,81,82 |
| 9 | 0.01 | 2xdmC | 0.477 | 4.59 | 0.017 | 0.814 | 0.21 | BO8 | complex9.pdb.gz | 9,20,127,128,129 |
| 10 | 0.01 | 2vigC | 0.435 | 4.41 | 0.048 | 0.729 | 0.34 | FAD | complex10.pdb.gz | 13,15,35,45 |
| 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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