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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 | 0.47 | 2f9j0 | 0.782 | 2.21 | 0.982 | 0.904 | 1.72 | III | complex1.pdb.gz | 15,17,19,20,32,35,46,47,48,49,50,51,52,53,56,59,61,66,67,92,97,98,109 |
| 2 | 0.09 | 1urnB | 0.631 | 2.52 | 0.231 | 0.728 | 1.15 | RQA | complex2.pdb.gz | 22,24,25,28,49,51,53,54,55,56,57,58,59,61,85,90,91,92,93,94 |
| 3 | 0.08 | 2errA | 0.548 | 2.04 | 0.209 | 0.624 | 1.14 | QNA | complex3.pdb.gz | 20,22,24,25,26,28,49,50,51,52,53,57,58,59,61,85,90,91,92,93,94 |
| 4 | 0.07 | 2xb2D | 0.590 | 2.28 | 0.253 | 0.664 | 0.88 | III | complex4.pdb.gz | 24,52,54,56,58,59 |
| 5 | 0.05 | 1h2v1 | 0.602 | 2.13 | 0.247 | 0.680 | 1.34 | III | complex5.pdb.gz | 29,32,33,34,36,37,38,41,65,75,76,78,80,81,83,84 |
| 6 | 0.04 | 1p272 | 0.603 | 2.49 | 0.244 | 0.688 | 1.13 | III | complex6.pdb.gz | 20,22,47,49,51,54,57,58,59,63,90,91,92,93 |
| 7 | 0.04 | 1oo01 | 0.599 | 2.46 | 0.244 | 0.688 | 1.09 | III | complex7.pdb.gz | 20,22,47,49,51,54,57,59,61,63,90,91,92,93 |
| 8 | 0.04 | 1a9n1 | 0.622 | 2.04 | 0.211 | 0.688 | 1.30 | III | complex8.pdb.gz | 33,34,36,37,38,40,41,43,44,47,80,81,82,83,84 |
| 9 | 0.04 | 1dz5A | 0.591 | 2.43 | 0.221 | 0.704 | 1.02 | RQA | complex9.pdb.gz | 22,24,25,28,49,56,57,58,59,61,63,91,92,93,94 |
| 10 | 0.03 | 2kh9A | 0.501 | 2.61 | 0.205 | 0.624 | 0.94 | RQA | complex10.pdb.gz | 20,22,24,49,50,51,59,61,88,90,93 |
| 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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