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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 | 0.93 | 2wtkB | 0.681 | 1.76 | 0.977 | 0.712 | 1.77 | ANP | complex1.pdb.gz | 75,76,77,78,79,83,85,98,100,147,148,150,154,157,197,199,200,202,215,239,415 |
| 2 | 0.61 | 2gcdA | 0.638 | 2.55 | 0.277 | 0.689 | 1.22 | STU | complex2.pdb.gz | 75,76,77,85,98,131,147,148,149,150,152,153,154,199,200,202,213 |
| 3 | 0.58 | 3ocbB | 0.629 | 2.49 | 0.195 | 0.675 | 1.19 | XM1 | complex3.pdb.gz | 78,83,84,85,98,100,147,148,150,199,200,202,212,213 |
| 4 | 0.31 | 3pvwA | 0.705 | 2.98 | 0.183 | 0.784 | 1.15 | QRX | complex4.pdb.gz | 75,78,79,82,83,84,85,100,102,114,131,148,202,212,213,215,216 |
| 5 | 0.28 | 3ow4A | 0.629 | 2.47 | 0.196 | 0.675 | 1.06 | SMY | complex5.pdb.gz | 75,76,82,83,84,98,131,147,148,149,150,154,202,212,415 |
| 6 | 0.28 | 3e88A | 0.624 | 2.58 | 0.199 | 0.675 | 1.02 | G96 | complex6.pdb.gz | 75,76,78,83,84,85,98,100,102,118,122,145,147,148,149,150,202,212,213,214,415 |
| 7 | 0.27 | 2etkA | 0.629 | 3.07 | 0.187 | 0.701 | 1.01 | HFS | complex7.pdb.gz | 75,85,98,131,147,148,149,150,199,200,415 |
| 8 | 0.26 | 2etrA | 0.628 | 3.12 | 0.187 | 0.701 | 0.95 | Y27 | complex8.pdb.gz | 75,85,147,148,149,150,201,212,213 |
| 9 | 0.04 | 1o6kA | 0.623 | 2.59 | 0.196 | 0.675 | 0.95 | III | complex9.pdb.gz | 79,154,156,195,197,199,240,241,242,243,244,271,280 |
| 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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