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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 | 0.68 | 3g2fA | 0.514 | 1.70 | 0.423 | 0.530 | 1.53 | ADP | complex1.pdb.gz | 209,210,211,212,213,214,215,217,228,230,279,280,282,286,337,338,340,351 |
| 2 | 0.61 | 2wotA | 0.512 | 1.73 | 0.340 | 0.529 | 1.25 | ZZG | complex2.pdb.gz | 209,217,228,230,258,277,278,279,280,281,282,283,285,289,338,340,350,351 |
| 3 | 0.51 | 3h9rA | 0.511 | 1.78 | 0.325 | 0.529 | 1.07 | TAK | complex3.pdb.gz | 228,230,258,279,280,281,282,283,285,340 |
| 4 | 0.22 | 2ow3A | 0.441 | 3.65 | 0.193 | 0.499 | 1.29 | BIM | complex4.pdb.gz | 209,214,228,280,281,282,283,337,340,350,351 |
| 5 | 0.22 | 3f88A | 0.442 | 3.51 | 0.199 | 0.496 | 1.18 | 2HT | complex5.pdb.gz | 210,217,337,338,351 |
| 6 | 0.21 | 3f7zA | 0.447 | 3.60 | 0.199 | 0.503 | 1.09 | 34O | complex6.pdb.gz | 209,213,216,228,230,258,340,350,351 |
| 7 | 0.20 | 1q3wB | 0.445 | 3.56 | 0.200 | 0.501 | 0.99 | ATU | complex7.pdb.gz | 230,281,282,283,340,350,351 |
| 8 | 0.17 | 3l1sB | 0.445 | 3.35 | 0.196 | 0.496 | 0.82 | Z92 | complex8.pdb.gz | 209,217,228,230,242,258,279,280,281,282,339,351,352 |
| 9 | 0.10 | 1uv5A | 0.449 | 3.59 | 0.196 | 0.504 | 1.42 | CO | complex9.pdb.gz | 213,333,351 |
| 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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