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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 | 0.02 | 2nnhA | 0.549 | 3.40 | 0.096 | 0.835 | 0.26 | REA | complex1.pdb.gz | 45,46,63,67 |
| 2 | 0.01 | 3t3sF | 0.569 | 3.24 | 0.095 | 0.848 | 0.16 | UUU | complex2.pdb.gz | 16,54,55,56,59,60 |
| 3 | 0.01 | 3lc4A | 0.574 | 2.88 | 0.096 | 0.823 | 0.10 | UUU | complex3.pdb.gz | 59,61,65,66 |
| 4 | 0.01 | 2pg6D | 0.579 | 2.97 | 0.081 | 0.835 | 0.16 | HEM | complex4.pdb.gz | 32,33,37,45,52,56,57,58,62 |
| 5 | 0.01 | 1r9oA | 0.577 | 2.92 | 0.095 | 0.810 | 0.22 | FLP | complex5.pdb.gz | 62,63,66,67,71 |
| 6 | 0.01 | 2pg5C | 0.584 | 3.10 | 0.080 | 0.848 | 0.15 | HEM | complex6.pdb.gz | 56,59,60,63,64,67 |
| 7 | 0.01 | 2pg6C | 0.583 | 2.94 | 0.081 | 0.848 | 0.18 | HEM | complex7.pdb.gz | 46,59,60,61,66 |
| 8 | 0.01 | 1pq2A | 0.567 | 3.46 | 0.095 | 0.848 | 0.12 | HEM | complex8.pdb.gz | 33,44,60,61,66 |
| 9 | 0.01 | 1og2A | 0.579 | 3.20 | 0.081 | 0.835 | 0.13 | HEC | complex9.pdb.gz | 32,35,36,39,40,48,49,50,56,57,62,65 |
| 10 | 0.01 | 1z10B | 0.413 | 4.08 | 0.042 | 0.759 | 0.31 | COU | complex10.pdb.gz | 55,56,60 |
| 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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