Table 2. Comparison of resveratrol ring orientation with other structures.
Ring twist illustrates the orientation of the ring with comparison to the central olefin of resveratrol. The p-OH ring twist is the Cα-Cα’-C1’-C6’ torsion angle; the di-m-OH ring twist is the Cα’-Cα-C1-C6 torsion angle. For the NMR structures, both positive and negative torsions were measured so they are reported in absolute degrees. Multiple values are given when more than one resveratrol is present in the X-ray structures.
| Structure |
p-OH ring twist (°) |
di-m-OH ring twist (°) |
|---|---|---|
| X-ray structure of resveratrol (64) | 8.02 | −2.98 |
| X-ray structure of 3,5,4’-Trimethoxystilbene (65) | 3.53/−9.16 | 21.13/−16.32 |
| NMR structure of resveratrol (D2O) a | 0.5 ± 0.3 | 43.9 ± 0.4 |
| NMR structure of cCTnC a | 18.6 ± 10.6 | 35.2 ± 8.7 |
| X-ray structure of Chalcone Synthase (pdb: 1CGZ)(70) | −9.21 | −32.00 |
| X-ray structure of Transthyretin (pdb: 1DVS)(71) | 0.7/1.06 | 0.55/1.13 |
| X-ray structure of Quinone Reductase 2 (pdb: 1SG0)(73) | 0.23/0.23 | 3.11/2.15 |
| X-ray structure of mutant Chalcone Synthase (pdb: 1U0W)(72) | −0.16/−2.98 | 0.18/−1.49 |
| X-ray structure of Stilbene Synthase (pdb: 1Z1F)(74) | 62.92 | −66.97 |
| X-ray structure of Cytosolic Sulfotransferase (pdb: 3CKL) | 19.84/20.51 | 5.80/19.16 |
| X-ray structure of Leukotriene A4 Hydrolase (pdb: 3FTS)(76) | −27.28 | −17.65 |
| X-ray structure of F1-ATPase (pdb: 1JIZ) (75)b | 27.68/19.90/−35.06/42.25 | −9.25/7.60/45.69/−21.39 |
a
This study.
b
The authors could not distinguish between two binding modes, and therefore concluded that resveratrol may bind to F1-ATPase in multiple poses.