|
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 | 0.04 | 2dw1A | 0.430 | 4.62 | 0.281 | 0.513 | 0.27 | GM6 | complex1.pdb.gz | 48,49,113,117 |
| 2 | 0.04 | 3dslA | 0.423 | 4.50 | 0.278 | 0.501 | 0.20 | UUU | complex2.pdb.gz | 48,49,113,116 |
| 3 | 0.01 | 1ofdA | 0.303 | 8.61 | 0.028 | 0.501 | 0.10 | AKG | complex3.pdb.gz | 53,116,117 |
| 4 | 0.01 | 1llwA | 0.331 | 8.14 | 0.028 | 0.524 | 0.14 | FMN | complex4.pdb.gz | 94,110,289,323,324,325,327 |
| 5 | 0.01 | 2vdcA | 0.324 | 8.31 | 0.058 | 0.518 | 0.12 | FMN | complex5.pdb.gz | 291,292,324,325 |
| 6 | 0.01 | 2qkiD | 0.206 | 8.73 | 0.050 | 0.346 | 0.11 | III | complex6.pdb.gz | 63,113,114,116 |
| 7 | 0.01 | 2qkiA | 0.209 | 8.60 | 0.026 | 0.348 | 0.14 | III | complex7.pdb.gz | 47,49,50,51,52,114,115 |
| 8 | 0.01 | 1llwA | 0.331 | 8.14 | 0.028 | 0.524 | 0.14 | AKG | complex8.pdb.gz | 50,56,116,117,118 |
| 9 | 0.01 | 2b39B | 0.332 | 8.58 | 0.036 | 0.547 | 0.13 | UUU | complex9.pdb.gz | 55,113,116 |
| 10 | 0.01 | 2vdcB | 0.331 | 8.36 | 0.056 | 0.530 | 0.12 | FMN | complex10.pdb.gz | 320,321,322 |
| 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. |
|