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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 | 0.61 | 1q3dB | 0.653 | 2.79 | 0.300 | 0.714 | 1.37 | STU | complex1.pdb.gz | 10,11,13,18,31,33,83,84,85,132,135,144,145 |
| 2 | 0.56 | 1q4lA | 0.650 | 2.79 | 0.299 | 0.711 | 1.32 | 679 | complex2.pdb.gz | 10,11,12,13,32,34,64,82,83,84,85,88,91,132,135,144,145 |
| 3 | 0.54 | 1unlA | 0.655 | 1.78 | 0.313 | 0.687 | 1.11 | RRC | complex3.pdb.gz | 10,11,12,18,64,82,83,85,86,87,88,132,135 |
| 4 | 0.40 | 3l1sA | 0.636 | 2.72 | 0.311 | 0.690 | 1.19 | Z92 | complex4.pdb.gz | 10,18,31,33,50,64,82,83,84,85,86,88,91,134,144,145 |
| 5 | 0.35 | 1pmqA | 0.625 | 2.51 | 0.271 | 0.683 | 1.16 | 880 | complex5.pdb.gz | 10,13,18,31,32,33,64,66,80,82,84,85,87,88,132,133,144 |
| 6 | 0.06 | 1unl0 | 0.655 | 1.78 | 0.313 | 0.687 | 1.24 | III | complex6.pdb.gz | 41,44,46,48,49,52,53,55,56,71,78,122,123,124,150,151,152,157,158,159 |
| 7 | 0.06 | 1q5k0 | 0.660 | 2.79 | 0.301 | 0.721 | 1.13 | III | complex7.pdb.gz | 14,15,49,161,162,163,164,165,173,174,205,206,207,208,209,211,212 |
| 8 | 0.05 | 1pmqA | 0.625 | 2.51 | 0.271 | 0.683 | 0.99 | ANP | complex8.pdb.gz | 13,14,15,46,130,132,167,194,200 |
| 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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