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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 | 2xejA | 0.332 | 6.96 | 0.073 | 0.547 | 0.11 | OKD | complex1.pdb.gz | 73,74,116,127 |
| 2 | 0.01 | 3iwwA | 0.359 | 6.62 | 0.068 | 0.585 | 0.11 | YZE | complex2.pdb.gz | 120,121,152,168 |
| 3 | 0.01 | 3d7gA | 0.358 | 6.77 | 0.068 | 0.590 | 0.12 | MUD | complex3.pdb.gz | 73,74,115,127 |
| 4 | 0.01 | 1jyyA | 0.351 | 6.78 | 0.036 | 0.585 | 0.13 | 2FL | complex4.pdb.gz | 115,124,125,168 |
| 5 | 0.01 | 2jbjA | 0.359 | 6.62 | 0.065 | 0.582 | 0.14 | G88 | complex5.pdb.gz | 110,119,121,168 |
| 6 | 0.01 | 1jyxD | 0.354 | 6.86 | 0.031 | 0.592 | 0.14 | IPT | complex6.pdb.gz | 108,111,151 |
| 7 | 0.01 | 3feeA | 0.307 | 7.04 | 0.064 | 0.527 | 0.14 | QUS | complex7.pdb.gz | 120,121,245 |
| 8 | 0.01 | 3sjeA | 0.360 | 6.61 | 0.068 | 0.585 | 0.15 | SDR | complex8.pdb.gz | 94,123,134,136,166,172 |
| 9 | 0.01 | 2c6cA | 0.358 | 6.77 | 0.072 | 0.590 | 0.10 | 24I | complex9.pdb.gz | 92,115,117 |
| 10 | 0.01 | 1jyxA | 0.354 | 6.85 | 0.039 | 0.592 | 0.23 | IPT | complex10.pdb.gz | 119,125,171 |
| 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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