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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 | 0.48 | 1afcA | 0.542 | 1.09 | 0.325 | 0.560 | 1.51 | SCR | complex1.pdb.gz | 176,177,178,180,182,186,188,191 |
| 2 | 0.46 | 1bfcA | 0.535 | 0.85 | 0.325 | 0.547 | 1.44 | UUU | complex2.pdb.gz | 78,79,152,176,177,182,191,192,193 |
| 3 | 0.32 | 3k1xB | 0.551 | 1.23 | 0.326 | 0.573 | 1.07 | DBX | complex3.pdb.gz | 79,177,192,193,194 |
| 4 | 0.31 | 1rmlA | 0.502 | 2.32 | 0.323 | 0.569 | 1.15 | NTS | complex4.pdb.gz | 174,187,188,189,191,192,193,194 |
| 5 | 0.30 | 2hw9B | 0.563 | 1.48 | 0.307 | 0.591 | 1.07 | SO4 | complex5.pdb.gz | 176,177,182,186 |
| 6 | 0.25 | 2k8rA | 0.474 | 2.79 | 0.292 | 0.564 | 1.06 | IHP | complex6.pdb.gz | 179,182,186,191,193 |
| 7 | 0.07 | 3ef2A | 0.534 | 2.37 | 0.079 | 0.600 | 0.89 | UUU | complex7.pdb.gz | 174,175,176,185,186,191,193 |
| 8 | 0.06 | 1ihk0 | 0.589 | 1.97 | 0.338 | 0.627 | 1.16 | III | complex8.pdb.gz | 71,73,76,78,82,97,152,153,197,198,199,200,201 |
| 9 | 0.06 | 1evt1 | 0.550 | 1.51 | 0.323 | 0.578 | 1.35 | III | complex9.pdb.gz | 76,78,82,95,106,108,109,110,111,114,147,149,153,154,155,197,198,199 |
| 10 | 0.06 | 1e0o0 | 0.544 | 1.40 | 0.328 | 0.569 | 1.32 | III | complex10.pdb.gz | 76,82,95,111,148,149,151,153,154,155,197,198 |
| 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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