Trioxacarcin D517
Smaltz, D.J., Magauer, T., Proepper, K., Dittrich, B., Myers, A.G.To be published.
Experimental Data Snapshot
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
18Y Query on 18Y | A, C [auth B], E [auth C], G [auth D] | Trioxacarcin A analogue, bound form C33 H40 O14 VSONDVKNAFWAKH-UEXNXLFMSA-N | |||
GUN Query on GUN | B [auth A], D [auth B], F [auth C], H [auth D] | GUANINE C5 H5 N5 O UYTPUPDQBNUYGX-UHFFFAOYSA-N | |||
DMS Query on DMS | I [auth C], J [auth C], K [auth D] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 24.086 | α = 90 |
b = 9.826 | β = 92.32 |
c = 35.093 | γ = 90 |
Software Name | Purpose |
---|---|
SHELXL | refinement |
XDS | data reduction |
XDS | data scaling |