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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 | 2pocA | 0.450 | 4.93 | 0.080 | 0.775 | 0.16 | UD1 | complex1.pdb.gz | 4,11,125,126 |
| 2 | 0.01 | 2gg8A | 0.445 | 5.06 | 0.038 | 0.775 | 0.18 | U15 | complex2.pdb.gz | 91,118,134 |
| 3 | 0.01 | 1qxyA | 0.440 | 5.13 | 0.053 | 0.768 | 0.16 | M2C | complex3.pdb.gz | 5,8,89 |
| 4 | 0.01 | 1ulvA | 0.454 | 4.34 | 0.066 | 0.729 | 0.11 | ACR | complex4.pdb.gz | 7,15,17,34 |
| 5 | 0.01 | 2gg3A | 0.446 | 5.08 | 0.069 | 0.788 | 0.14 | U13 | complex5.pdb.gz | 84,92,115,135 |
| 6 | 0.01 | 2gtxA | 0.447 | 5.10 | 0.069 | 0.781 | 0.16 | NLP | complex6.pdb.gz | 2,35,122 |
| 7 | 0.01 | 3pr3B | 0.423 | 5.57 | 0.064 | 0.801 | 0.20 | F6P | complex7.pdb.gz | 5,10,11,12,121 |
| 8 | 0.01 | 2bb7A | 0.446 | 5.09 | 0.054 | 0.781 | 0.17 | QMS | complex8.pdb.gz | 5,11,132 |
| 9 | 0.01 | 1c24A | 0.444 | 5.07 | 0.053 | 0.781 | 0.14 | MPJ | complex9.pdb.gz | 5,35,91,122 |
| 10 | 0.01 | 3p9em | 0.435 | 5.45 | 0.062 | 0.815 | 0.11 | UUU | complex10.pdb.gz | 86,91,92 |
| | 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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