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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 | 0.54 | 2i13A | 0.947 | 1.13 | 0.483 | 1.000 | 1.18 | QNA | complex1.pdb.gz | 12,14,19,22,23,26,40,42,44,47,51,54,72,75,79,82,98,100,103,107,110 |
| 2 | 0.46 | 1meyF | 0.694 | 1.00 | 0.476 | 0.724 | 1.21 | UUU | complex2.pdb.gz | 46,49,61,73,74,100,102 |
| 3 | 0.40 | 1ubdC | 0.755 | 2.18 | 0.314 | 0.905 | 1.16 | QNA | complex3.pdb.gz | 44,45,46,50,74,77 |
| 4 | 0.28 | 1jk2A | 0.689 | 0.81 | 0.301 | 0.716 | 1.22 | QNA | complex4.pdb.gz | 46,53,72,74,101,102,105 |
| 5 | 0.22 | 1meyC | 0.674 | 1.06 | 0.518 | 0.716 | 1.47 | QNA | complex5.pdb.gz | 12,16,19,22,23,26,40,42,44,47,50,51,68,70,72,75,78,79,82 |
| 6 | 0.20 | 1meyC | 0.674 | 1.06 | 0.518 | 0.716 | 1.34 | UUU | complex6.pdb.gz | 18,21,33,45,46,50,74 |
| 7 | 0.13 | 1p47A | 0.703 | 1.10 | 0.294 | 0.733 | 1.27 | QNA | complex7.pdb.gz | 46,50,72,73,74,100,101,102,105 |
| 8 | 0.08 | 1meyC | 0.674 | 1.06 | 0.518 | 0.716 | 0.84 | III | complex8.pdb.gz | 65,78,79,80 |
| 9 | 0.06 | 1p47B | 0.686 | 0.71 | 0.305 | 0.707 | 1.38 | QNA | complex9.pdb.gz | 31,42,44,50,51,54,68,71,72,75,79,82,96,98,100,103,106,107,110 |
| 10 | 0.06 | 1a1fA | 0.684 | 0.75 | 0.317 | 0.707 | 1.04 | ZN | complex10.pdb.gz | 63,66,76,80 |
| 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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