TABLE 3.
Interactions (d, in Å) between FAD atoms and protein/solvent atoms (averaged between the two subunits)
The ′ indicates residues of the other subunit in the functional dimer.
| FAD atom | Protein/solvent atom | d |
|---|---|---|
| Å | ||
| N6A | Gly-117(O) | 3.04 |
| N6A | Solvent 333 (HOH-O) | 2.50a |
| N1A | Gly-117(N) | 2.97 |
| N3A | Arg-37(N) | 3.21b |
| N7A | Solvent 417, solvent 25 (HOH-O) | 2.80 |
| N7A | Solvent 333 (HOH-O) | 3.20a |
| O2B | Glu-36(OE2) | 2.60 |
| O2B | Arg-37(NE) | 3.10c |
| O2B | Solvent 227, solvent 327 (HOH-O) | 3.33 |
| O3B | Glu-36(OE1) | 2.58 |
| O3B | Glu-36(OE2) | 3.17 |
| O3B | Solvent 90, solvent 73 (HOH-O) | 3.01 |
| O1A | Val-44(N) | 3.02 |
| O2A | Solvent 34, solvent 240 (HOH-O) | 2.65 |
| O2A | Solvent 92, solvent 244 (HOH -O) | 2.65 |
| O1P | Ala-17(N) | 3.15 |
| O1P | Solvent 1, solvent 6 (HOH-O) | 2.61 |
| O2P | Asp-313(N) | 3.01 |
| O2P | Solvent 91, solvent 93 (HOH-O) | 2.80 |
| O4′ | Cys-45(N) | 3.36 |
| O3′ | Asp-313(OD1) | 2.91 |
| O3′ | Asp-313(OD2) | 3.23 |
| O3′ | Met-319(O) | 3.09 |
| O3′ | Leu-320(N) | 3.51 |
| O3′ | Ala-321(N) | 3.45 |
| O2 | Ala-321(N) | 2.74 |
| O2 | His-445′(O) | 3.25 |
| O2 | His-322(ND1) | 3.38d |
| N3 | His-445′(O) | 2.81 |
| N3 | Solvent 253, solvent 210 (HOH-O) | 2.90 |
| O4 | Lys-54(NZ) | 3.11 |
| O4 | Solvent 75, solvent 55 (HOH-O) | 2.73 |
| O4 | Solvent 339, solvent 127(HOH-O) | 3.57 |
| N5 | Solvent 339, solvent 127(HOH-O) | 2.81 |
a Water molecule and interaction are seen in subunit B only.
b This is absent in 2A8X.
c This is absent in 1LPF, 1LVL, 3LAD, 1V59, 1GER, and 1DXL.
d This is absent in 1GER.