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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 | 0.23 | 1s9qB | 0.469 | 1.23 | 0.736 | 0.478 | 0.18 | OHT | complex1.pdb.gz | 106,108,129,167 |
| 2 | 0.23 | 1s9pD | 0.507 | 1.22 | 0.741 | 0.517 | 0.15 | DES | complex2.pdb.gz | 113,164,169,173,177 |
| 3 | 0.22 | 2gppA | 0.509 | 1.31 | 0.787 | 0.520 | 0.19 | 1BA | complex3.pdb.gz | 160,164,167,173,174 |
| 4 | 0.19 | 2zkcA | 0.512 | 1.20 | 0.788 | 0.522 | 0.15 | BPZ | complex4.pdb.gz | 129,167,169 |
| 5 | 0.18 | 2gpvB | 0.482 | 1.26 | 0.740 | 0.492 | 0.21 | OHT | complex5.pdb.gz | 114,120,121,124,131 |
| 6 | 0.15 | 2gppB | 0.510 | 1.09 | 0.786 | 0.517 | 0.18 | III | complex6.pdb.gz | 112,124,125 |
| 7 | 0.14 | 2p7aA | 0.508 | 0.99 | 0.789 | 0.515 | 0.13 | 43M | complex7.pdb.gz | 121,125,128 |
| 8 | 0.13 | 2p15B | 0.513 | 1.67 | 0.338 | 0.529 | 0.21 | EZT | complex8.pdb.gz | 109,112,113,168,173 |
| 9 | 0.13 | 1qktA | 0.478 | 2.38 | 0.310 | 0.506 | 0.16 | EST | complex9.pdb.gz | 118,167,168,169 |
| 10 | 0.13 | 2qr9B | 0.513 | 1.61 | 0.338 | 0.529 | 0.15 | HZ3 | complex10.pdb.gz | 105,108,127,172,173 |
| 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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