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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 | 2ibfA | 0.236 | 6.03 | 0.020 | 0.379 | 0.12 | III | complex1.pdb.gz | 34,128,129,132,141,226 |
| 2 | 0.01 | 3kowB | 0.374 | 6.46 | 0.055 | 0.634 | 0.18 | B12 | complex2.pdb.gz | 224,257,260,262 |
| 3 | 0.01 | 2v7gC | 0.349 | 6.42 | 0.047 | 0.575 | 0.10 | NAD | complex3.pdb.gz | 59,60,119,120,121,137,138,139 |
| 4 | 0.01 | 1zvzA | 0.235 | 5.93 | 0.020 | 0.375 | 0.13 | III | complex4.pdb.gz | 56,59,60,128,194 |
| 5 | 0.01 | 2gwwA | 0.185 | 6.13 | 0.048 | 0.292 | 0.18 | III | complex5.pdb.gz | 57,77,199,201 |
| 6 | 0.01 | 1t01A | 0.239 | 5.97 | 0.020 | 0.385 | 0.13 | III | complex6.pdb.gz | 100,103,104,105,110,111 |
| 7 | 0.01 | 1uwkA | 0.380 | 6.59 | 0.050 | 0.625 | 0.10 | NAD | complex7.pdb.gz | 28,80,81,112,119,141,142,198,199 |
| 8 | 0.01 | 3kozD | 0.373 | 6.45 | 0.071 | 0.628 | 0.13 | Z97 | complex8.pdb.gz | 77,78,196,201 |
| 9 | 0.01 | 1zw2A | 0.203 | 5.97 | 0.028 | 0.317 | 0.16 | III | complex9.pdb.gz | 83,86,89 |
| 10 | 0.01 | 3kowC | 0.375 | 6.49 | 0.051 | 0.637 | 0.20 | B12 | complex10.pdb.gz | 78,123,124 |
| 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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