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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 | 0.53 | 3pcxA | 0.551 | 2.22 | 0.281 | 0.584 | 1.25 | III | complex1.pdb.gz | 152,209,210,211,256,258,311,312,313,314,315,316 |
| 2 | 0.51 | 2cnkA | 0.348 | 2.19 | 0.287 | 0.369 | 1.45 | III | complex2.pdb.gz | 152,153,209,210,211,212,256,257,258,260,262 |
| 3 | 0.31 | 3h0eB | 0.545 | 1.75 | 0.289 | 0.568 | 1.10 | H0E | complex3.pdb.gz | 210,211,258,311,312,313,314 |
| 4 | 0.27 | 1jxqA | 0.572 | 2.15 | 0.263 | 0.605 | 0.80 | III | complex4.pdb.gz | 210,258,312,313,321,355 |
| 5 | 0.26 | 1rhuA | 0.343 | 1.72 | 0.299 | 0.358 | 1.26 | 3CY | complex5.pdb.gz | 149,153,210,211,212,256,258,261 |
| 6 | 0.24 | 1nmeA | 0.348 | 2.19 | 0.287 | 0.369 | 1.20 | 158 | complex6.pdb.gz | 209,210,211,256,257,258 |
| 7 | 0.23 | 1rhmC | 0.343 | 1.74 | 0.299 | 0.358 | 1.02 | NA4 | complex7.pdb.gz | 152,210,211,258 |
| 8 | 0.23 | 1rhrA | 0.342 | 1.75 | 0.299 | 0.358 | 0.99 | CNE | complex8.pdb.gz | 151,154,210,211,212,258,260 |
| 9 | 0.04 | 1cp30 | 0.543 | 1.80 | 0.292 | 0.568 | 0.93 | III | complex9.pdb.gz | 240,241,244,247,296,297,307,310,357,358,359,360,361,362,363,365,367,368,369,370 |
| 10 | 0.04 | 2cnn1 | 0.348 | 2.19 | 0.287 | 0.369 | 1.28 | III | complex10.pdb.gz | 123,124,125,126,128,129,152,153,154,157,158,161,162,165,166,169,171,208,213,232,235,238,239,240,241,248,249,250,251,252,253,254,255,256,257,258,259,260,261 |
| 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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