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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 | 1wtgH | 0.428 | 5.03 | 0.083 | 0.734 | 0.12 | 3BP | complex1.pdb.gz | 41,44,142,153,154 |
| 2 | 0.01 | 2xbvA | 0.437 | 4.99 | 0.050 | 0.741 | 0.11 | XBV | complex2.pdb.gz | 113,116,118,126,130 |
| 3 | 0.01 | 2bohB | 0.421 | 4.93 | 0.051 | 0.728 | 0.11 | IIA | complex3.pdb.gz | 60,130,132 |
| 4 | 0.01 | 1wunH | 0.453 | 5.08 | 0.119 | 0.778 | 0.12 | P5B | complex4.pdb.gz | 37,152,153,154 |
| 5 | 0.01 | 2flrH | 0.457 | 5.20 | 0.078 | 0.804 | 0.12 | 7NH | complex5.pdb.gz | 70,71,103,104 |
| 6 | 0.01 | 1nfuA | 0.423 | 5.09 | 0.058 | 0.741 | 0.15 | RRP | complex6.pdb.gz | 101,102,108,109,110,111,112 |
| 7 | 0.01 | 3kqbA | 0.425 | 5.02 | 0.042 | 0.734 | 0.10 | LGJ | complex7.pdb.gz | 66,91,94,109,119,120,121 |
| 8 | 0.01 | 1z6eA | 0.423 | 4.78 | 0.068 | 0.715 | 0.12 | IK8 | complex8.pdb.gz | 102,105,109,111,112,114 |
| 9 | 0.01 | 2xc4A | 0.430 | 5.07 | 0.050 | 0.741 | 0.12 | IVK | complex9.pdb.gz | 120,128,129,130 |
| 10 | 0.01 | 2y80A | 0.423 | 4.78 | 0.068 | 0.715 | 0.11 | 439 | complex10.pdb.gz | 129,131,132 |
| 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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