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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 | 0.01 | 3oduA | 0.494 | 5.52 | 0.088 | 0.782 | 0.60 | OLC | complex1.pdb.gz | 21,25,28,55,58,59,98,101 |
| 2 | 0.01 | 3oduA | 0.494 | 5.52 | 0.088 | 0.782 | 0.51 | OLC | complex2.pdb.gz | 10,11,14,15,16,197,205,209 |
| 3 | 0.01 | 1fuqB | 0.490 | 4.21 | 0.082 | 0.694 | 0.55 | SIF | complex3.pdb.gz | 200,202,205,206,208 |
| 4 | 0.01 | 1cc1L | 0.488 | 4.23 | 0.051 | 0.672 | 0.79 | H2S | complex4.pdb.gz | 54,57,58,97,100 |
| 5 | 0.01 | 3oe6A | 0.400 | 5.76 | 0.048 | 0.690 | 0.74 | OLC | complex5.pdb.gz | 57,60,61,64 |
| 6 | 0.01 | 1fupB | 0.480 | 4.62 | 0.047 | 0.716 | 0.54 | PMA | complex6.pdb.gz | 16,56,62,63 |
| 7 | 0.01 | 3oe6A | 0.400 | 5.76 | 0.048 | 0.690 | 0.95 | OLC | complex7.pdb.gz | 22,23,26,27 |
| 8 | 0.01 | 3oduB | 0.450 | 5.72 | 0.066 | 0.760 | 0.58 | OLC | complex8.pdb.gz | 208,215,216,219 |
| 9 | 0.01 | 2zdxB | 0.322 | 4.69 | 0.059 | 0.463 | 0.50 | P4A | complex9.pdb.gz | 58,61,65,91,92 |
| 10 | 0.01 | 2wpnB | 0.495 | 3.64 | 0.042 | 0.642 | 0.75 | SBY | complex10.pdb.gz | 20,23,60,63,64 |
| 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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