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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 | 2gbiA | 0.345 | 7.25 | 0.045 | 0.564 | 0.16 | XIH | complex1.pdb.gz | 145,199,222,234,264 |
| 2 | 0.01 | 2bgn0 | 0.356 | 7.51 | 0.030 | 0.586 | 0.24 | III | complex2.pdb.gz | 179,180,181,183,184 |
| 3 | 0.01 | 3cccB | 0.319 | 7.30 | 0.028 | 0.520 | 0.16 | 7AC | complex3.pdb.gz | 141,142,166,214,215 |
| 4 | 0.01 | 1u8eB | 0.347 | 7.16 | 0.027 | 0.556 | 0.37 | UUU | complex4.pdb.gz | 162,164,240 |
| 5 | 0.01 | 2oncB | 0.359 | 7.48 | 0.038 | 0.590 | 0.23 | SY1 | complex5.pdb.gz | 141,199,201,202 |
| 6 | 0.01 | 1g8t0 | 0.403 | 2.71 | 0.132 | 0.438 | 0.13 | III | complex6.pdb.gz | 128,200,201,202,262 |
| 7 | 0.01 | 3h0cA | 0.353 | 7.56 | 0.040 | 0.588 | 0.11 | PS4 | complex7.pdb.gz | 145,224,234,248 |
| 8 | 0.01 | 2h642 | 0.105 | 4.98 | 0.074 | 0.138 | 0.25 | III | complex8.pdb.gz | 213,215,217 |
| 9 | 0.01 | 3noxA | 0.357 | 7.50 | 0.028 | 0.588 | 0.14 | 6A5 | complex9.pdb.gz | 145,221,264 |
| 10 | 0.01 | 3c43A | 0.324 | 7.38 | 0.044 | 0.530 | 0.12 | 315 | complex10.pdb.gz | 221,222,265 |
| 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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