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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 | 0.02 | 1ct8B | 0.490 | 3.34 | 0.137 | 0.587 | 0.54 | TAA | complex1.pdb.gz | 66,107,110 |
| 2 | 0.02 | 2pcpD | 0.487 | 3.54 | 0.116 | 0.592 | 0.74 | 1PC | complex2.pdb.gz | 84,104,109,110,111,112 |
| 3 | 0.02 | 3i02D | 0.480 | 3.38 | 0.116 | 0.579 | 0.56 | UUU | complex3.pdb.gz | 85,105,107,110 |
| 4 | 0.02 | 1m7dB | 0.479 | 3.59 | 0.109 | 0.592 | 0.62 | UUU | complex4.pdb.gz | 83,85,104,105,106,109 |
| 5 | 0.02 | 2pcpB | 0.484 | 3.44 | 0.128 | 0.583 | 0.62 | 1PC | complex5.pdb.gz | 49,116,119,122 |
| 6 | 0.01 | 1q9wB | 0.483 | 3.47 | 0.097 | 0.587 | 0.53 | UUU | complex6.pdb.gz | 43,46,116,147 |
| 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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