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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 | 2vdcA | 0.443 | 4.46 | 0.101 | 0.914 | 0.12 | OMT | complex1.pdb.gz | 23,24,38 |
| 2 | 0.01 | 1k6sB | 0.428 | 4.43 | 0.039 | 0.876 | 0.20 | IAP | complex2.pdb.gz | 2,3,7 |
| 3 | 0.01 | 2j6lA | 0.436 | 4.45 | 0.064 | 0.852 | 0.11 | NAI | complex3.pdb.gz | 18,32,60,61 |
| 4 | 0.01 | 1k6sA | 0.364 | 4.24 | 0.013 | 0.716 | 0.22 | IAP | complex4.pdb.gz | 13,16,32,34 |
| 5 | 0.01 | 1bxsA | 0.440 | 4.24 | 0.000 | 0.840 | 0.12 | NAD | complex5.pdb.gz | 14,15,23,62,63 |
| 6 | 0.01 | 1bi9A | 0.299 | 4.75 | 0.026 | 0.617 | 0.22 | NAD | complex6.pdb.gz | 11,32,63,64 |
| 7 | 0.01 | 3fwmA | 0.346 | 4.72 | 0.013 | 0.679 | 0.13 | M0E | complex7.pdb.gz | 15,59,60 |
| 8 | 0.01 | 2wgiB | 0.418 | 4.65 | 0.078 | 0.889 | 0.17 | PNM | complex8.pdb.gz | 9,10,34,51 |
| 9 | 0.01 | 1o9jA | 0.438 | 4.16 | 0.026 | 0.815 | 0.11 | NAD | complex9.pdb.gz | 32,61,62,63 |
| 10 | 0.01 | 1h8yB | 0.421 | 4.61 | 0.079 | 0.864 | 0.14 | MER | complex10.pdb.gz | 11,29,31 |
| | 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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