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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 | 1cc1L | 0.383 | 4.76 | 0.053 | 0.514 | 0.93 | H2S | complex1.pdb.gz | 164,167,168,184,187 |
| 2 | 0.01 | 3rkoC | 0.383 | 4.78 | 0.049 | 0.505 | 0.64 | CA7 | complex2.pdb.gz | 196,203,204,207,208 |
| 3 | 0.01 | 2ibfA | 0.270 | 3.36 | 0.019 | 0.316 | 0.79 | III | complex3.pdb.gz | 149,150,152,153,156,157,160,163,164,192,199,203 |
| 4 | 0.01 | 1u8vC | 0.373 | 5.55 | 0.044 | 0.562 | 0.63 | FAD | complex4.pdb.gz | 157,159,194,195,197 |
| 5 | 0.01 | 2gdcA | 0.265 | 2.61 | 0.026 | 0.301 | 0.65 | III | complex5.pdb.gz | 151,154,155,158,159,162,165,187,221,228,232,245 |
| 6 | 0.01 | 3rkoL | 0.369 | 4.43 | 0.043 | 0.468 | 0.76 | LFA | complex6.pdb.gz | 168,171,172,261 |
| 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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