|
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 | 0.07 | 1wdkB | 0.421 | 5.60 | 0.063 | 0.781 | 0.11 | NAD | complex1.pdb.gz | 63,67,93 |
| 2 | 0.07 | 2d3tA | 0.417 | 5.46 | 0.083 | 0.758 | 0.15 | NAD | complex2.pdb.gz | 2,63,118 |
| 3 | 0.06 | 3g45A | 0.430 | 4.41 | 0.044 | 0.668 | 0.17 | 988 | complex3.pdb.gz | 64,66,89,92 |
| 4 | 0.06 | 1wdlA | 0.449 | 5.40 | 0.060 | 0.775 | 0.16 | NAD | complex4.pdb.gz | 6,7,66,67,95 |
| 5 | 0.04 | 3sl5A | 0.373 | 5.09 | 0.069 | 0.601 | 0.16 | J25 | complex5.pdb.gz | 5,67,88,89,92 |
| 6 | 0.04 | 1tbbA | 0.317 | 5.90 | 0.083 | 0.590 | 0.10 | ROL | complex6.pdb.gz | 4,67,91 |
| 7 | 0.03 | 1tb5A | 0.373 | 5.08 | 0.055 | 0.607 | 0.15 | AMP | complex7.pdb.gz | 63,64,92 |
| 8 | 0.02 | 3g4lB | 0.371 | 5.20 | 0.069 | 0.607 | 0.14 | ROF | complex8.pdb.gz | 63,64,66,85,88,89 |
| 9 | 0.01 | 2i80A | 0.439 | 5.30 | 0.041 | 0.742 | 0.17 | G1L | complex9.pdb.gz | 17,28,29,33,40 |
| 10 | 0.01 | 2fm5C | 0.365 | 5.27 | 0.040 | 0.607 | 0.17 | M99 | complex10.pdb.gz | 25,59,62,66 |
| 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. |
|