TABLE 1.
R values of fitted RDC data of substrate-bound MalE/MalF-P2
Correlation factors are calculated with respect to the full structure, the two individual domains for substrate-free and -bound MalE, and the intermediate state in the MalFGK2-E complex. A good correlation is observed for the full-length structure and the individual domains in the reference experiment (MalE/maltose). Fitted HN-N RDCs from the MalE/MalF-P2/maltose complex to known structures of MalE show a decreased correlation factor for the individual domains and the full-length structure. MalE/MalF-P2/maltose-derived RDCs show a better correlation with respect to the full-length structure of MalE with corrected relative orientations of the individual domains by Module (17). A similar dependence is observed for RDCs derived from MalE/MalF-P2 in the absence of maltose.
Complex | Domain 1 | Domain 2 | Full-length |
---|---|---|---|
HN-N RDC MalE/maltose | |||
MalE with maltose (PDB: 1MPD) | 0.97 | 0.98 | 0.89 |
MalE without maltose (PDB: 1PEB) | 0.94 | 0.90 | 0.63 |
HN-N RDC MalE/MalF-P2/maltose | |||
MalE with maltose (PDB: 1MPD) | 0.65 | 0.76 | 0.61 |
MalE without maltose (PDB: 1PEB) | 0.61 | 0.68 | 0.56 |
MalE (MalFGK2-E) (PDB: 2r6g) | 0.68 | 0.56 | 0.47 |
MalE/MalF-P2/maltose (Module) | 0.65 | 0.76 | 0.71 |
HN-N RDC MalE/MalF-P2 | |||
MalE without maltose (PDB: 1PEB) | 0.62 | 0.78 | 0.63 |
MalE/MalF-P2/maltose (Module) | 0.62 | 0.78 | 0.68 |