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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 | 0.75 | 1meyC | 0.896 | 1.05 | 0.566 | 0.965 | 1.59 | QNA | complex1.pdb.gz | 12,16,19,22,23,26,40,42,44,47,50,51,68,70,72,75,78,79,82 |
| 2 | 0.74 | 1meyC | 0.896 | 1.05 | 0.566 | 0.965 | 1.20 | UUU | complex2.pdb.gz | 21,33,45,46,50 |
| 3 | 0.72 | 2i13A | 0.930 | 1.17 | 0.570 | 1.000 | 0.81 | QNA | complex3.pdb.gz | 17,18,45,46,74,77 |
| 4 | 0.30 | 2i13B | 0.974 | 0.55 | 0.593 | 1.000 | 1.01 | QNA | complex4.pdb.gz | 14,18,19,22,23,26,40,42,44,47,51,54,70,72,75,79,82 |
| 5 | 0.30 | 2jp9A | 0.855 | 1.78 | 0.434 | 0.965 | 1.15 | QNA | complex5.pdb.gz | 14,16,19,22,23,26,40,42,43,44,47,51,54,70,72,75,78 |
| 6 | 0.28 | 1p47B | 0.900 | 0.83 | 0.439 | 0.954 | 1.46 | QNA | complex6.pdb.gz | 3,14,16,22,23,26,40,43,44,47,51,54,68,70,72,75,78,79,82 |
| 7 | 0.09 | 1ubdC | 0.898 | 1.05 | 0.464 | 0.977 | 1.01 | QNA | complex7.pdb.gz | 44,45,46,50,74,77 |
| 8 | 0.08 | 1p47A | 0.920 | 1.22 | 0.435 | 0.988 | 1.06 | QNA | complex8.pdb.gz | 22,44,45,46,72,73,74,77 |
| 9 | 0.08 | 1p47B | 0.900 | 0.83 | 0.439 | 0.954 | 1.10 | QNA | complex9.pdb.gz | 46,72,73,74,77,78 |
| 10 | 0.06 | 1f2i0 | 0.624 | 1.93 | 0.375 | 0.721 | 1.18 | III | complex10.pdb.gz | 32,33,36,43,44,48,49,52,56,58 |
| 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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