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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 | 2ibfA | 0.151 | 6.15 | 0.025 | 0.205 | 0.13 | III | complex1.pdb.gz | 115,119,122,175,176,235 |
| 2 | 0.01 | 2np0A | 0.315 | 8.61 | 0.037 | 0.521 | 0.17 | III | complex2.pdb.gz | 122,127,132,133 |
| 3 | 0.01 | 3tj6A | 0.147 | 6.33 | 0.040 | 0.202 | 0.14 | III | complex3.pdb.gz | 118,119,122 |
| 4 | 0.01 | 1zw3A | 0.145 | 5.90 | 0.031 | 0.192 | 0.12 | III | complex4.pdb.gz | 114,115,118,119,160 |
| 5 | 0.01 | 3rf3A | 0.150 | 5.94 | 0.060 | 0.198 | 0.16 | III | complex5.pdb.gz | 112,113,115,118,119,122,133,134,143 |
| 6 | 0.01 | 2gwwA | 0.152 | 5.91 | 0.035 | 0.204 | 0.14 | III | complex6.pdb.gz | 120,169,170,264,271 |
| 7 | 0.01 | 1n1hA | 0.281 | 7.97 | 0.043 | 0.433 | 0.14 | QNA | complex7.pdb.gz | 124,160,161 |
| 8 | 0.01 | 1n1hA | 0.281 | 7.97 | 0.043 | 0.433 | 0.17 | UUU | complex8.pdb.gz | 123,124,135,137 |
| 9 | 0.01 | 1n38A | 0.303 | 8.43 | 0.038 | 0.497 | 0.11 | QNA | complex9.pdb.gz | 128,132,134 |
| 10 | 0.01 | 1t3tA | 0.303 | 8.09 | 0.031 | 0.477 | 0.10 | ADP | complex10.pdb.gz | 173,175,176 |
| 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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