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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 | 1n90A | 0.563 | 4.57 | 0.116 | 0.726 | 0.18 | HEC | complex1.pdb.gz | 86,94,110 |
| 2 | 0.02 | 1dy7B | 0.570 | 4.43 | 0.109 | 0.731 | 0.21 | HEC | complex2.pdb.gz | 108,131,132,133,134,135,258 |
| 3 | 0.02 | 2ovqB | 0.555 | 3.59 | 0.138 | 0.656 | 0.33 | III | complex3.pdb.gz | 70,115,132,155,156 |
| 4 | 0.02 | 1n90B | 0.562 | 4.64 | 0.119 | 0.728 | 0.16 | HEC | complex4.pdb.gz | 131,133,135,136 |
| 5 | 0.02 | 1aomB | 0.569 | 4.57 | 0.112 | 0.733 | 0.14 | HEM | complex5.pdb.gz | 70,115,134 |
| 6 | 0.02 | 1aofB | 0.569 | 4.55 | 0.109 | 0.733 | 0.16 | HEM | complex6.pdb.gz | 130,136,244 |
| 7 | 0.01 | 1n15A | 0.563 | 4.57 | 0.119 | 0.726 | 0.19 | HEC | complex7.pdb.gz | 110,111,266,291,313 |
| 8 | 0.01 | 1bl9A | 0.564 | 4.60 | 0.119 | 0.728 | 0.19 | HEC | complex8.pdb.gz | 69,70,71,131,133,247,249 |
| 9 | 0.01 | 1gjqA | 0.562 | 4.58 | 0.119 | 0.726 | 0.19 | HEC | complex9.pdb.gz | 157,159,310,311,312,314 |
| 10 | 0.01 | 1gq1B | 0.569 | 4.51 | 0.106 | 0.731 | 0.13 | HEC | complex10.pdb.gz | 246,247,305 |
| 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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