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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 | 0.19 | 1e22A | 0.926 | 1.75 | 0.460 | 0.966 | 0.11 | ACP | Download | 88,117,143 |
| 2 | 0.10 | 1g51A | 0.744 | 3.38 | 0.216 | 0.826 | 0.10 | AMO | Download | 115,116,117,141,142,144,147 |
| 3 | 0.08 | 3g1zB | 0.571 | 2.44 | 0.292 | 0.610 | 0.15 | AMP | Download | 93,118,120 |
| 4 | 0.04 | 3rl6B | 0.512 | 2.52 | 0.196 | 0.550 | 0.19 | AMP | Download | 81,82,107 |
| 5 | 0.02 | 12asA | 0.499 | 2.97 | 0.177 | 0.550 | 0.12 | AMP | Download | 70,71,72 |
| 6 | 0.01 | 2du3A | 0.386 | 4.07 | 0.141 | 0.450 | 0.15 | SEP | Download | 28,72,114,116 |
| 7 | 0.01 | 2i4mB | 0.385 | 5.04 | 0.116 | 0.490 | 0.13 | PSD | Download | 70,148,164,165,166,167 |
| 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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