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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 | 0.65 | 2i13B | 0.915 | 1.25 | 0.570 | 1.000 | 1.23 | QNA | complex1.pdb.gz | 14,41,45,69,70,98 |
| 2 | 0.58 | 2i13A | 0.971 | 0.70 | 0.570 | 1.000 | 1.23 | QNA | complex2.pdb.gz | 8,10,15,18,19,22,36,38,40,43,47,50,68,71,75,78,94,96,99,103,106 |
| 3 | 0.37 | 1jk2A | 0.701 | 0.82 | 0.422 | 0.728 | 1.27 | QNA | complex3.pdb.gz | 42,49,68,70,97,98,101 |
| 4 | 0.37 | 1ubdC | 0.770 | 2.00 | 0.413 | 0.912 | 1.08 | QNA | complex4.pdb.gz | 40,41,42,46,70,73 |
| 5 | 0.31 | 1meyC | 0.667 | 0.94 | 0.587 | 0.702 | 1.51 | QNA | complex5.pdb.gz | 8,12,15,18,19,22,36,38,40,43,46,47,64,66,68,71,74,75 |
| 6 | 0.27 | 1tf3A | 0.573 | 2.28 | 0.390 | 0.719 | 0.90 | QNA | complex6.pdb.gz | 49,50,55,64,65,66,67,71,74,75,78,83,93,94,95,99,102,103,105,106 |
| 7 | 0.27 | 1meyC | 0.667 | 0.94 | 0.587 | 0.702 | 1.31 | UUU | complex7.pdb.gz | 17,29,41,42,46,70 |
| 8 | 0.24 | 1llmC | 0.483 | 1.54 | 0.361 | 0.509 | 1.38 | QNA | complex8.pdb.gz | 36,38,39,40,43,47,50,64,66,68,71,74,75 |
| 9 | 0.18 | 1aayA | 0.705 | 0.75 | 0.422 | 0.728 | 1.11 | QNA | complex9.pdb.gz | 13,14,40,42,68,69 |
| 10 | 0.15 | 1p47B | 0.697 | 0.72 | 0.427 | 0.719 | 1.06 | QNA | complex10.pdb.gz | 42,68,69,70,73,74 |
| 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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