|
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 | 1c30A | 0.404 | 7.25 | 0.050 | 0.695 | 0.19 | ORN | complex1.pdb.gz | 98,164,165,167 |
| 2 | 0.01 | 2ivfA | 0.385 | 6.76 | 0.042 | 0.617 | 0.16 | SF4 | complex2.pdb.gz | 70,103,104 |
| 3 | 0.01 | 1ce8A | 0.401 | 7.44 | 0.051 | 0.702 | 0.17 | ADP | complex3.pdb.gz | 73,75,103 |
| 4 | 0.01 | 1bxrE | 0.408 | 7.24 | 0.061 | 0.702 | 0.11 | ANP | complex4.pdb.gz | 74,75,197 |
| 5 | 0.01 | 1a9xG | 0.399 | 7.24 | 0.052 | 0.688 | 0.13 | ADP | complex5.pdb.gz | 72,73,74,75,104 |
| 6 | 0.01 | 1ce8E | 0.404 | 7.17 | 0.053 | 0.688 | 0.18 | ADP | complex6.pdb.gz | 44,45,74,214 |
| 7 | 0.01 | 1jdbH | 0.402 | 7.17 | 0.058 | 0.688 | 0.13 | GLN | complex7.pdb.gz | 168,169,202 |
| 8 | 0.01 | 3o8oB | 0.401 | 6.39 | 0.070 | 0.620 | 0.31 | F6P | complex8.pdb.gz | 97,98,163,167 |
| 9 | 0.01 | 1ce8A | 0.401 | 7.44 | 0.051 | 0.702 | 0.10 | IMP | complex9.pdb.gz | 97,98,165 |
| 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. |
|