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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 | 3bg5C | 0.366 | 7.22 | 0.021 | 0.600 | 0.15 | ATP | complex1.pdb.gz | 228,249,282 |
| 2 | 0.01 | 3hb9A | 0.380 | 7.62 | 0.033 | 0.656 | 0.16 | ADP | complex2.pdb.gz | 231,300,301 |
| 3 | 0.01 | 2npfA | 0.382 | 7.41 | 0.042 | 0.630 | 0.23 | MOU | complex3.pdb.gz | 226,228,250,252,278,280,281,284 |
| 4 | 0.01 | 3ho8B | 0.377 | 7.44 | 0.039 | 0.630 | 0.18 | COA | complex4.pdb.gz | 253,254,276,277,279 |
| 5 | 0.01 | 1jz0A | 0.390 | 7.51 | 0.045 | 0.658 | 0.15 | 2FG | complex5.pdb.gz | 202,278,324 |
| 6 | 0.01 | 2e1rA | 0.380 | 6.96 | 0.051 | 0.600 | 0.15 | SOD | complex6.pdb.gz | 205,208,228,230,279,282 |
| 7 | 0.01 | 1jyxD | 0.392 | 7.56 | 0.043 | 0.664 | 0.16 | IPT | complex7.pdb.gz | 211,272,278 |
| 8 | 0.01 | 1u2rA | 0.401 | 7.17 | 0.058 | 0.645 | 0.25 | GDP | complex8.pdb.gz | 203,204,205,273,274,325,326 |
| 9 | 0.01 | 3ho8D | 0.374 | 7.35 | 0.042 | 0.626 | 0.37 | COA | complex9.pdb.gz | 207,251,252,253,254 |
| 10 | 0.01 | 1jyxA | 0.392 | 7.53 | 0.045 | 0.662 | 0.19 | IPT | complex10.pdb.gz | 205,208,279 |
| 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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