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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 | 0.12 | 1h2uY | 0.686 | 1.90 | 0.299 | 0.745 | 1.16 | UUU | complex1.pdb.gz | 9,49,78,80,81,82,89,91,93,99,100,101,104 |
| 2 | 0.06 | 1cvjF | 0.525 | 3.28 | 0.208 | 0.624 | 0.87 | QNA | complex2.pdb.gz | 9,36,37,39,40,41,44,47,49,51,53,78,80,81,82,83 |
| 3 | 0.05 | 1h2v1 | 0.549 | 1.22 | 0.308 | 0.573 | 1.43 | III | complex3.pdb.gz | 16,19,20,21,23,24,25,28,55,65,66,68,70,71,73,74 |
| 4 | 0.05 | 2lebA | 0.474 | 2.58 | 0.323 | 0.573 | 1.02 | QNA | complex4.pdb.gz | 8,11,34,35,36,38,48,49,51,53,81,82,83,84 |
| 5 | 0.05 | 2j0s2 | 0.492 | 1.85 | 0.287 | 0.535 | 1.25 | III | complex5.pdb.gz | 2,3,4,7,9,11,33,34,36,38,41,42,47,49,51,80,81,82 |
| 6 | 0.04 | 1p272 | 0.488 | 1.94 | 0.284 | 0.535 | 1.17 | III | complex6.pdb.gz | 3,7,9,34,36,38,41,42,47,48,49,53,80,81,82 |
| 7 | 0.04 | 2xb2D | 0.491 | 1.88 | 0.287 | 0.535 | 1.03 | III | complex7.pdb.gz | 40,42,43,45,46 |
| 8 | 0.04 | 2x1aA | 0.487 | 1.92 | 0.253 | 0.535 | 1.38 | QNA | complex8.pdb.gz | 12,13,14,15,48,75 |
| 9 | 0.04 | 2kg0A | 0.475 | 1.73 | 0.214 | 0.529 | 1.30 | RQA | complex9.pdb.gz | 11,12,13,15,45,46,68,69,75,76,77,78,80 |
| 10 | 0.03 | 1u1pA | 0.489 | 2.81 | 0.212 | 0.567 | 1.08 | UUU | complex10.pdb.gz | 7,9,11,12,34,36,38,47,49,51,78,80,81,82,83 |
| 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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