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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 | 0.05 | 3bk2A | 0.709 | 3.52 | 0.142 | 0.808 | 0.11 | U5P | complex1.pdb.gz | 103,104,118 |
| 2 | 0.03 | 3ielB | 0.532 | 3.11 | 0.156 | 0.590 | 0.11 | U5P | complex2.pdb.gz | 119,120,183,186 |
| 3 | 0.02 | 3iemC | 0.534 | 2.99 | 0.152 | 0.590 | 0.30 | SSU | complex3.pdb.gz | 28,29,36,119 |
| 4 | 0.02 | 3ie1A | 0.533 | 3.13 | 0.152 | 0.592 | 0.30 | RQA | complex4.pdb.gz | 33,34,35,182,183,184,204,205 |
| 5 | 0.01 | 3ho8C | 0.285 | 7.14 | 0.035 | 0.438 | 0.11 | COA | complex5.pdb.gz | 14,99,103,104 |
| 6 | 0.01 | 3ho8D | 0.292 | 7.20 | 0.062 | 0.457 | 0.16 | COA | complex6.pdb.gz | 14,102,103,119 |
| 7 | 0.01 | 3bg5C | 0.371 | 7.80 | 0.038 | 0.630 | 0.13 | PYR | complex7.pdb.gz | 30,31,186,214 |
| 8 | 0.01 | 3ho8B | 0.318 | 7.10 | 0.053 | 0.500 | 0.22 | COA | complex8.pdb.gz | 94,95,96,97,275 |
| 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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