Table 3.
BLUF UV/vis and IR signals, as calculated from imidic Gln63 models throughout the literature.
| Reference and Year | UV/vis maxima | |||
|---|---|---|---|---|
| First FMN π → π* | Second FMN π → π* | |||
| Trp-out | Trp-in | Trp-out | Trp-in | |
| Domratcheva et al., 2008 | 447 nm | 454 nm | 361 nm | 356 nm |
| Sadeghian et al., 2008a,b | 377 nm | 390 nm | n/a | n/a |
| 414 nm | 425 nm | |||
| Khrenova et al., 2010 | 425–429 nm | 441 nm | n/a | n/a |
| Khrenova et al., 2011b | 424 nm | 442 nm | n/a | n/a |
| Udvarhelyi and Domratcheva, 2013c | (444 nm) | 461 nm | n/a | n/a |
| (437 nm) | 451 nm | |||
| Resting | Signaling | Resting | Signaling | |
| Exp. AppA Kraft et al., 2003 | 446 nm | 458 nm | 373 nm | 378 nm |
| Exp. BlrB Zirak et al., 2006 | 445 nm | 457 nm | 374 nm | 379 nm |
| IR FMN(C4 = O4) stretch | ||||
| Trp-out | Trp-in | |||
| Domratcheva et al., 2008 | 1742 cm−1 | 1748 cm−1 | ||
| Sadeghian et al., 2008a | 1798 cm−1 | 1791 cm−1 | ||
| Khrenova et al., 2010 | 1700 cm−1 | 1675 cm−1 | ||
| Resting | Signaling | |||
| Exp. AppA Masuda et al., 2005b | 1709 cm−1 | 1695 cm−1 | ||
| Exp. BlrB | n/a | n/a | ||
AppA BLUF if not noted otherwise. Note that Trp-in and Trp-out columns have been switched compared to Table 2 as the consensus assignment of the resting and signaling state is different.
a
BlrB BLUF (PDB ID 2BYC).
b
Reported values for BHLYP (upper line) and CC2 (lower line).
c
Two different optimization restraint settings for the iGln63 configurations reported. Trp-out values taken from Table 2; no actual Trp-out structures, only rotated Gln63.