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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 | 3o6xB | 0.447 | 6.16 | 0.045 | 0.703 | 0.18 | ADP | complex1.pdb.gz | 55,58,72 |
| 2 | 0.01 | 2d3bC | 0.439 | 5.42 | 0.047 | 0.647 | 0.15 | UUU | complex2.pdb.gz | 61,62,102,104,106,135 |
| 3 | 0.01 | 2d3aG | 0.438 | 5.38 | 0.051 | 0.644 | 0.20 | P3S | complex3.pdb.gz | 60,111,112 |
| 4 | 0.01 | 2bvcA | 0.449 | 5.54 | 0.074 | 0.669 | 0.11 | ADP | complex4.pdb.gz | 132,216,218 |
| 5 | 0.01 | 2d3bA | 0.439 | 5.42 | 0.047 | 0.647 | 0.15 | ANP | complex5.pdb.gz | 52,54,56,110 |
| 6 | 0.01 | 2d3cE | 0.439 | 5.36 | 0.047 | 0.644 | 0.17 | ADP | complex6.pdb.gz | 77,102,133 |
| 7 | 0.01 | 2d3cA | 0.439 | 5.36 | 0.047 | 0.644 | 0.21 | P3P | complex7.pdb.gz | 103,126,127,131 |
| 8 | 0.01 | 2d3bA | 0.439 | 5.42 | 0.047 | 0.647 | 0.17 | MSL | complex8.pdb.gz | 102,106,133 |
| 9 | 0.01 | 3ng0A | 0.453 | 5.52 | 0.041 | 0.669 | 0.17 | ANP | complex9.pdb.gz | 45,46,55,56,111 |
| 10 | 0.01 | 2bvcB | 0.428 | 5.92 | 0.062 | 0.662 | 0.15 | P3S | complex10.pdb.gz | 55,57,63 |
| 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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