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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 | 3gxfC | 0.381 | 5.13 | 0.047 | 0.636 | 0.51 | PO4 | complex1.pdb.gz | 140,168,169,171,172 |
| 2 | 0.01 | 2nt0D | 0.425 | 5.34 | 0.054 | 0.733 | 0.49 | GOL | complex2.pdb.gz | 101,102,103,115 |
| 3 | 0.01 | 2bxyA | 0.411 | 5.65 | 0.063 | 0.749 | 0.56 | TRE | complex3.pdb.gz | 155,158,159,160 |
| 4 | 0.01 | 1llwA | 0.425 | 5.91 | 0.045 | 0.818 | 0.42 | F3S | complex4.pdb.gz | 102,103,104,105,137 |
| 5 | 0.01 | 1lm1A | 0.420 | 5.80 | 0.035 | 0.775 | 0.58 | F3S | complex5.pdb.gz | 102,103,104,105,113,114,118 |
| 6 | 0.01 | 2nt1D | 0.380 | 5.90 | 0.045 | 0.711 | 0.62 | PO4 | complex6.pdb.gz | 100,101,115,116,117 |
| 7 | 0.01 | 3gxiB | 0.382 | 5.98 | 0.045 | 0.717 | 0.43 | PO4 | complex7.pdb.gz | 112,137,140 |
| 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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