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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 | 1llwA | 0.359 | 7.21 | 0.059 | 0.615 | 0.16 | FMN | complex1.pdb.gz | 70,214,227,228,229 |
| 2 | 0.01 | 2ztgA | 0.361 | 6.75 | 0.040 | 0.598 | 0.11 | A5A | complex2.pdb.gz | 68,70,109,213,214 |
| 3 | 0.01 | 1ofdA | 0.338 | 7.70 | 0.033 | 0.623 | 0.26 | F3S | complex3.pdb.gz | 70,71,82,86,89 |
| 4 | 0.01 | 1lm1A | 0.358 | 7.10 | 0.047 | 0.603 | 0.20 | FMN | complex4.pdb.gz | 70,108,174,214 |
| 5 | 0.01 | 1mo8A | 0.184 | 5.96 | 0.065 | 0.278 | 0.23 | ATP | complex5.pdb.gz | 71,80,82,85,86,87 |
| 6 | 0.01 | 1ea0B | 0.340 | 7.19 | 0.029 | 0.573 | 0.14 | OMT | complex6.pdb.gz | 84,85,86 |
| 7 | 0.01 | 1llzA | 0.320 | 7.89 | 0.036 | 0.600 | 0.15 | FMN | complex7.pdb.gz | 10,199,214 |
| 8 | 0.01 | 1ofdA | 0.338 | 7.70 | 0.033 | 0.623 | 0.17 | FMN | complex8.pdb.gz | 48,49,214 |
| 9 | 0.01 | 1ea0B | 0.340 | 7.19 | 0.029 | 0.573 | 0.20 | FMN | complex9.pdb.gz | 25,71,174,175,176 |
| 10 | 0.01 | 1ofeA | 0.354 | 7.18 | 0.047 | 0.608 | 0.18 | ONL | complex10.pdb.gz | 71,83,84,85 |
| 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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