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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 | 1dluA | 0.422 | 5.71 | 0.070 | 0.736 | 0.14 | MPD | complex1.pdb.gz | 113,114,115 |
| 2 | 0.01 | 2qx1A | 0.432 | 5.57 | 0.087 | 0.741 | 0.17 | D1T | complex2.pdb.gz | 100,183,186 |
| 3 | 0.01 | 2qnzB | 0.433 | 5.58 | 0.094 | 0.741 | 0.21 | DFD | complex3.pdb.gz | 171,173,183,184 |
| 4 | 0.01 | 2qnxA | 0.432 | 5.60 | 0.087 | 0.741 | 0.20 | MDX | complex4.pdb.gz | 142,143,169,170,189 |
| 5 | 0.01 | 3h77A | 0.432 | 5.68 | 0.062 | 0.741 | 0.14 | COW | complex5.pdb.gz | 111,168,170,171 |
| 6 | 0.01 | 1mzjA | 0.429 | 5.47 | 0.055 | 0.731 | 0.11 | UUU | complex6.pdb.gz | 50,54,159,161,162,189,190 |
| 7 | 0.01 | 2buiB | 0.444 | 5.43 | 0.062 | 0.741 | 0.14 | OCA | complex7.pdb.gz | 17,18,68 |
| 8 | 0.01 | 2qnxB | 0.429 | 5.41 | 0.062 | 0.721 | 0.22 | UDT | complex8.pdb.gz | 114,131,133 |
| 9 | 0.01 | 2vz9B | 0.427 | 5.82 | 0.064 | 0.756 | 0.10 | NAP | complex9.pdb.gz | 54,56,84,170 |
| 10 | 0.01 | 2vz9B | 0.427 | 5.82 | 0.064 | 0.756 | 0.14 | NAP | complex10.pdb.gz | 85,169,170,171,185 |
| 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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