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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 | 0.93 | 3kcfC | 0.646 | 1.00 | 0.997 | 0.656 | 1.93 | JZO | complex1.pdb.gz | 211,219,230,232,249,260,262,278,280,282,283,337,338,340,351 |
| 2 | 0.89 | 2x7oB | 0.645 | 1.09 | 0.991 | 0.656 | 1.96 | ZOP | complex2.pdb.gz | 211,212,219,230,232,245,260,278,280,281,282,283,284,286,290,294,340,350 |
| 3 | 0.66 | 3my0X | 0.501 | 1.28 | 0.681 | 0.511 | 1.71 | LDN | complex3.pdb.gz | 230,232,281,283,284,285,286,290,337,338,340,350,351 |
| 4 | 0.59 | 3g2fA | 0.572 | 1.63 | 0.366 | 0.591 | 1.53 | ADP | complex4.pdb.gz | 211,212,213,214,215,216,217,219,230,232,280,281,283,287,337,338,340,351 |
| 5 | 0.42 | 3q4tA | 0.571 | 1.60 | 0.397 | 0.589 | 1.30 | TAK | complex5.pdb.gz | 212,230,232,280,281,282,283,284,286,340 |
| 6 | 0.23 | 1oplB | 0.477 | 2.50 | 0.196 | 0.515 | 1.18 | P16 | complex6.pdb.gz | 219,230,232,244,248,278,280,281,283,286,340,350,352 |
| 7 | 0.22 | 1opjB | 0.467 | 3.04 | 0.231 | 0.515 | 1.10 | STI | complex7.pdb.gz | 219,230,232,245,248,249,278,280,282,283,286,329,330,331,332,350,351 |
| 8 | 0.22 | 3hmiA | 0.477 | 2.47 | 0.220 | 0.515 | 1.19 | DKI | complex8.pdb.gz | 211,212,213,214,219,281,282,283,286,338,340,350 |
| 9 | 0.16 | 3qrkA | 0.449 | 2.74 | 0.237 | 0.491 | 0.97 | 9DP | complex9.pdb.gz | 230,231,232,241,245,249,260,278,280,331,350,351 |
| 10 | 0.14 | 1b6c1 | 0.626 | 1.73 | 0.997 | 0.648 | 1.01 | III | complex10.pdb.gz | 194,198,199,200,265,267 |
| 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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