Research Article
Pyoverdine, the Major Siderophore in Pseudomonas aeruginosa, Evades NGAL Recognition
Table 1
Predicted binding affinities (kcal/mol).
| Docking mode | Apo pyoverdine | Ferric pyoverdine | Ferric enterobactin | Trimer | Monomer | Trimer | Monomer | Trimer |
| 1 | −6.9 | −6.5 | −9.2 | −8.9 | −11.8 | 2 | −6.8 | −6.4 | −9.1 | −8.4 | −11.3 | 3 | −6.8 | −6.3 | −8.7 | −8.3 | −10.9 | 4 | −6.7 | −6.3 | −8.6 | −8.2 | −10.9 | 5 | −6.6 | −6.3 | −8.6 | −8.2 | −10.8 | 6 | −6.6 | −6.0 | −8.3 | −8.1 | −10.5 | 7 | −6.5 | −5.9 | −8.3 | −8.0 | −10.4 | 8 | −6.5 | −5.8 | −8.3 | −7.9 | −9.8 | 9 | −6.4 | −5.8 | −8.2 | −7.6 | −9.7 |
|
|