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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 | 0.73 | 2pizA | 0.804 | 0.87 | 0.469 | 0.816 | 1.66 | 606 | complex1.pdb.gz | 108,111,166,184,236,237,238,239,247,287,288,290,293,295,310 |
| 2 | 0.73 | 3d68C | 0.884 | 1.94 | 0.408 | 0.930 | 1.43 | ARG | complex2.pdb.gz | 108,166,183,184,247,288,295,308,310 |
| 3 | 0.56 | 3lmsA | 0.800 | 1.29 | 0.453 | 0.821 | 0.95 | GLY | complex3.pdb.gz | 108,166,183,184 |
| 4 | 0.54 | 3fx6A | 0.803 | 0.93 | 0.387 | 0.816 | 1.43 | BPX | complex4.pdb.gz | 108,110,111,166,183,184,236,283,288,308,310,319 |
| 5 | 0.54 | 3d67B | 0.882 | 1.98 | 0.411 | 0.930 | 0.81 | GEM | complex5.pdb.gz | 108,111,166,236,288,291,310 |
| 6 | 0.51 | 1bavC | 0.803 | 0.95 | 0.393 | 0.816 | 1.00 | BIP | complex6.pdb.gz | 108,183,184,236,290,308,310 |
| 7 | 0.28 | 1zli0 | 0.807 | 0.85 | 0.464 | 0.818 | 1.55 | III | complex7.pdb.gz | 110,111,112,159,160,161,162,163,164,166,194,201,202,203,236,237,238,239,286,287,288,289,310,319,320 |
| 8 | 0.07 | 4cpa0 | 0.803 | 0.97 | 0.393 | 0.816 | 1.21 | III | complex8.pdb.gz | 110,111,164,166,236,237,238,285,286,287,288,319 |
| 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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