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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 | 2j68A | 0.559 | 4.02 | 0.112 | 0.828 | 0.26 | GDP | Download | 30,31,32 |
| 2 | 0.01 | 1biqB | 0.524 | 4.18 | 0.101 | 0.841 | 0.21 | UUU | Download | 13,20,118,123 |
| 3 | 0.01 | 2bu8A | 0.532 | 3.16 | 0.028 | 0.731 | 0.23 | ADP | Download | 30,71,72,74,75 |
| 4 | 0.01 | 2bu6A | 0.498 | 3.34 | 0.065 | 0.697 | 0.36 | TF2 | Download | 126,129,133 |
| 5 | 0.01 | 2w6dB | 0.445 | 4.55 | 0.045 | 0.697 | 0.27 | CPL | Download | 74,75,76,78,79,82,83,86,87,90 |
| 6 | 0.01 | 2bu7A | 0.529 | 3.24 | 0.038 | 0.731 | 0.37 | TF3 | Download | 19,21,22,68,71,72,75 |
| 7 | 0.01 | 3crlA | 0.546 | 3.04 | 0.047 | 0.731 | 0.24 | ANP | Download | 18,68,69,70,73,74,75 |
| 8 | 0.01 | 2bu2A | 0.500 | 3.33 | 0.046 | 0.697 | 0.39 | TF1 | Download | 18,129,132 |
| 9 | 0.01 | 2w6dB | 0.445 | 4.55 | 0.045 | 0.697 | 0.28 | CPL | Download | 71,72,74,75,76,79,81,82,85,88 |
| 10 | 0.01 | 3o6xA | 0.568 | 4.01 | 0.063 | 0.814 | 0.13 | ADP | Download | 71,134,136 |
| 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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