Magnesium in PDB 8ql5: Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 Ps Structure

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 Ps Structure, PDB code: 8ql5 was solved by T.Weinert, M.Wranik, H.-P.Seidel, J.Church, M.O.Steinmetz, I.Schapiro, J.Standfuss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.49 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.53, 92.58, 83.99, 90, 96.71, 90
R / Rfree (%)	27.6 / 30

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 Ps Structure also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 Ps Structure (pdb code 8ql5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 Ps Structure, PDB code: 8ql5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 Ps Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 Ps Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:8.6 occ:1.00 O A:HOH761 1.9 22.5 1.0 O A:HOH696 2.0 13.8 1.0 O A:HOH751 2.0 20.8 1.0 O2B A:GTP501 2.1 17.1 1.0 O1G A:GTP501 2.1 22.5 1.0 O A:HOH715 2.2 19.1 1.0 PG A:GTP501 3.2 18.3 1.0 PB A:GTP501 3.2 18.0 1.0 O3B A:GTP501 3.5 17.0 1.0 O2G A:GTP501 3.6 18.8 1.0 O3A A:GTP501 3.8 19.2 1.0 O B:HOH801 4.0 37.9 1.0 OD1 A:ASP69 4.1 20.3 1.0 OE2 A:GLU71 4.1 28.6 1.0 CB A:GLN11 4.2 22.5 1.0 NZ B:LYS252 4.2 31.7 0.6 OD2 A:ASP98 4.4 26.8 1.0 N A:GLN11 4.4 15.1 1.0 OD2 A:ASP69 4.4 15.9 1.0 O2A A:GTP501 4.5 22.9 1.0 CG A:GLU71 4.5 25.9 1.0 O3G A:GTP501 4.6 19.7 1.0 O1B A:GTP501 4.6 19.0 1.0 CB A:ASP98 4.6 18.9 1.0 OE1 A:GLN11 4.6 28.5 1.0 CG A:ASP69 4.7 20.1 1.0 PA A:GTP501 4.7 20.0 1.0 CG A:ASP98 4.8 20.7 1.0 CD A:GLU71 4.9 29.5 1.0 CA A:GLN11 4.9 19.1 1.0

Magnesium binding site 2 out of 2 in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 Ps Structure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 Ps Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:34.9 occ:0.94 NE2 B:GLN11 1.4 30.6 0.5 CD B:GLN11 1.6 37.0 0.5 OE1 B:GLN11 1.6 34.9 0.5 O1G B:GTP701 1.9 35.2 0.5 O2B B:GTP701 2.5 29.3 1.0 O B:HOH805 2.7 47.0 1.0 CG B:GLN11 3.1 34.5 0.5 PG B:GTP701 3.2 37.4 0.5 PB B:GTP701 3.5 32.7 1.0 O3B B:GTP701 3.6 31.3 1.0 O3A B:GTP701 3.7 27.0 1.0 CB B:GLN11 3.8 31.6 0.5 CB B:GLN11 3.9 31.6 0.5 O2G B:GTP701 4.0 43.8 0.5 O2A B:GTP701 4.2 33.2 1.0 O B:HOH921 4.3 71.0 1.0 N B:GLN11 4.3 31.2 1.0 O3G B:GTP701 4.4 35.8 0.5 NE2 B:GLN11 4.5 46.9 0.5 PA B:GTP701 4.5 35.9 1.0 OD2 B:ASP67 4.6 36.7 1.0 CA B:GLN11 4.7 30.9 0.5 CA B:GLN11 4.7 30.8 0.5 CB B:GLU69 4.7 51.9 1.0 OD1 B:ASP67 4.8 36.0 1.0 O1B B:GTP701 4.9 31.6 1.0 CD B:GLN11 4.9 38.8 0.5

T.Weinert, M.Wranik, H.-P.Seidel, J.Church, M.O.Steinmetz, I.Schapiro, J.Standfuss. Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near-Atomic Resolution To Be Published.