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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 | 0.06 | 2jcqA | 0.827 | 2.04 | 0.280 | 0.939 | 1.16 | UUU | complex1.pdb.gz | 13,48,49,50,60,66,68,69,70,71,79 |
| 2 | 0.03 | 1sb21 | 0.650 | 2.22 | 0.152 | 0.798 | 0.59 | III | complex2.pdb.gz | 17,21,30,32,33,34,35,38,53,54,55,78,79,80,81,82 |
| 3 | 0.03 | 2py2A | 0.637 | 2.70 | 0.139 | 0.798 | 0.44 | CA | complex3.pdb.gz | 52,84,91 |
| 4 | 0.02 | 1rdl0 | 0.624 | 2.57 | 0.118 | 0.768 | 0.41 | III | complex4.pdb.gz | 3,5,6,7,8,9,96 |
| 5 | 0.02 | 3cdgJ | 0.634 | 1.83 | 0.107 | 0.758 | 0.41 | III | complex5.pdb.gz | 60,78,80 |
| 6 | 0.02 | 3p5fC | 0.635 | 2.59 | 0.089 | 0.798 | 0.48 | MAN | complex6.pdb.gz | 38,40,45,51,60 |
| 7 | 0.02 | 1g1rB | 0.649 | 2.55 | 0.061 | 0.828 | 0.44 | UUU | complex7.pdb.gz | 50,58,60,83 |
| 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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