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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 | 0.37 | 1szmA | 0.417 | 2.40 | 0.403 | 0.437 | 1.35 | BI4 | complex1.pdb.gz | 366,367,388,422,438,439,440,441,488,489,491,501,502 |
| 2 | 0.36 | 1xh4A | 0.429 | 2.68 | 0.392 | 0.452 | 1.35 | III | complex2.pdb.gz | 402,405,445,447,451,486,487,488,505,517,518,519,520,521,523,550,554,555,556,559,560,561,567 |
| 3 | 0.35 | 1q24A | 0.428 | 2.70 | 0.392 | 0.452 | 1.41 | ATP | complex3.pdb.gz | 367,368,369,370,371,372,374,388,390,439,441,445,486,488,489,491,501,502 |
| 4 | 0.32 | 3pooA | 0.429 | 2.69 | 0.399 | 0.452 | 0.86 | S69 | complex4.pdb.gz | 366,369,372,373,374,388,390,392,438,439,440,441,502 |
| 5 | 0.23 | 2gnjA | 0.428 | 2.71 | 0.392 | 0.452 | 0.97 | Y27 | complex5.pdb.gz | 366,368,369,374,388,440,441,442,491,501,502 |
| 6 | 0.22 | 3nx8A | 0.428 | 2.70 | 0.396 | 0.452 | 0.90 | IPH | complex6.pdb.gz | 374,388,438,439,440,441 |
| 7 | 0.22 | 3dndA | 0.428 | 2.62 | 0.390 | 0.450 | 1.14 | LL2 | complex7.pdb.gz | 366,374,388,439,445,488,491,501 |
| 8 | 0.18 | 1szmB | 0.401 | 2.94 | 0.347 | 0.432 | 0.88 | BI4 | complex8.pdb.gz | 366,368,374,388,390 |
| 9 | 0.17 | 1xh9A | 0.427 | 2.47 | 0.387 | 0.447 | 1.44 | BU3 | complex9.pdb.gz | 371,372,373,391,393,396,433 |
| 10 | 0.17 | 3aglA | 0.429 | 2.74 | 0.390 | 0.453 | 1.35 | A03 | complex10.pdb.gz | 369,370,371,372,374,388,392,422,438,439,440,441,445,447,451,487,488,491,501,505,523,550,556,656 |
| 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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