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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 | 3htfA | 0.279 | 5.30 | 0.038 | 0.460 | 0.43 | JZ6 | complex1.pdb.gz | 103,106,107,110 |
| 2 | 0.01 | 1c6dA | 0.280 | 5.42 | 0.028 | 0.466 | 0.47 | KR | complex2.pdb.gz | 73,77,112 |
| 3 | 0.01 | 1c6dA | 0.280 | 5.42 | 0.028 | 0.466 | 0.46 | KR | complex3.pdb.gz | 81,88,104 |
| 4 | 0.01 | 1c6fA | 0.280 | 5.24 | 0.028 | 0.460 | 0.49 | AR | complex4.pdb.gz | 77,80,105 |
| 5 | 0.01 | 1c61A | 0.275 | 5.59 | 0.036 | 0.478 | 0.64 | KR | complex5.pdb.gz | 73,76,77,80,108,111,112 |
| 6 | 0.01 | 2ou8A | 0.282 | 5.34 | 0.028 | 0.466 | 0.58 | MTN | complex6.pdb.gz | 77,104,107,111 |
| 7 | 0.01 | 1c6cA | 0.274 | 5.62 | 0.036 | 0.478 | 0.48 | AR | complex7.pdb.gz | 74,77,81,112 |
| 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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