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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 | 3n0gA | 0.376 | 6.39 | 0.053 | 0.606 | 0.18 | DST | Download | 4,11,15 |
| 2 | 0.01 | 3p5pA | 0.389 | 6.66 | 0.046 | 0.659 | 0.10 | A3C | Download | 45,46,49,53 |
| 3 | 0.01 | 3m01A | 0.375 | 6.28 | 0.086 | 0.609 | 0.12 | FPF | Download | 25,45,46,49 |
| 4 | 0.01 | 1bg3A | 0.287 | 6.11 | 0.033 | 0.453 | 0.20 | BGC | Download | 54,71,72,73 |
| 5 | 0.01 | 5eatA | 0.381 | 6.35 | 0.055 | 0.624 | 0.18 | FHP | Download | 7,11,54 |
| 6 | 0.01 | 2nztA | 0.305 | 6.40 | 0.084 | 0.494 | 0.23 | UUU | Download | 17,18,65,66,67,318,319 |
| 7 | 0.01 | 1dgkN | 0.390 | 6.52 | 0.060 | 0.638 | 0.32 | ADP | Download | 25,26,46,47,50 |
| 8 | 0.01 | 5eauA | 0.388 | 6.36 | 0.082 | 0.632 | 0.21 | FFF | Download | 28,42,45,46,49,52 |
| 9 | 0.01 | 1czaN | 0.392 | 6.51 | 0.055 | 0.638 | 0.17 | G6P | Download | 11,50,70 |
| 10 | 0.01 | 1hkbA | 0.391 | 6.24 | 0.066 | 0.615 | 0.37 | CA | Download | 10,49,50 |
| 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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