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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 | 1f31A | 0.302 | 7.47 | 0.028 | 0.484 | 0.34 | UUU | complex1.pdb.gz | 314,315,335,336 |
| 2 | 0.01 | 2np0A | 0.304 | 7.51 | 0.026 | 0.488 | 0.18 | III | complex2.pdb.gz | 311,316,318,325,328,332,333 |
| 3 | 0.01 | 3cmvD | 0.247 | 7.24 | 0.035 | 0.384 | 0.19 | ANP | complex3.pdb.gz | 430,431,433,469 |
| 4 | 0.01 | 1g9aA | 0.263 | 7.22 | 0.023 | 0.413 | 0.16 | BAB | complex4.pdb.gz | 330,333,334,335,336,341 |
| 5 | 0.01 | 3cmvA | 0.245 | 7.01 | 0.041 | 0.376 | 0.16 | ANP | complex5.pdb.gz | 431,432,438 |
| 6 | 0.01 | 3cmvC | 0.243 | 7.52 | 0.041 | 0.389 | 0.27 | ANP | complex6.pdb.gz | 307,308,309,310 |
| 7 | 0.01 | 2qkiD | 0.163 | 7.73 | 0.030 | 0.270 | 0.16 | III | complex7.pdb.gz | 438,458,469,471,472 |
| 8 | 0.01 | 1xmsA | 0.149 | 6.81 | 0.028 | 0.229 | 0.14 | ANP | complex8.pdb.gz | 435,438,459,461,462 |
| 9 | 0.01 | 2qkiA | 0.173 | 7.83 | 0.025 | 0.295 | 0.16 | III | complex9.pdb.gz | 430,433,440 |
| 10 | 0.01 | 1i1eA | 0.252 | 7.36 | 0.019 | 0.400 | 0.39 | DM2 | complex10.pdb.gz | 310,312,313,317,335 |
| 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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