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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 | 3pffA | 0.485 | 4.15 | 0.063 | 0.852 | 0.15 | ADP | Download | 41,54,55 |
| 2 | 0.01 | 2jkeB | 0.490 | 3.53 | 0.084 | 0.795 | 0.11 | NOJ | Download | 9,36,38 |
| 3 | 0.01 | 2g8yA | 0.386 | 4.77 | 0.045 | 0.818 | 0.14 | NAD | Download | 32,50,71 |
| 4 | 0.01 | 2f2hF | 0.498 | 3.91 | 0.051 | 0.830 | 0.21 | XTG | Download | 69,70,72,73,74 |
| 5 | 0.01 | 3n2oB | 0.480 | 4.06 | 0.071 | 0.727 | 0.11 | PLP | Download | 50,51,77 |
| 6 | 0.01 | 2c4mA | 0.482 | 3.86 | 0.080 | 0.818 | 0.17 | UUU | Download | 31,51,68,69,72 |
| 7 | 0.01 | 3n2oD | 0.477 | 4.06 | 0.069 | 0.716 | 0.12 | PLP | Download | 50,51,77 |
| 8 | 0.01 | 2jea1 | 0.312 | 4.28 | 0.043 | 0.534 | 0.12 | III | Download | 14,16,17,20,21,23,24,45,46,47,48,49,50,51,52 |
| 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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