Magnesium in PDB 8qea: Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 96 Fs Structure

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 96 Fs Structure, PDB code: 8qea 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 (%)	19.8 / 23.2

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 96 Fs 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: 96 Fs Structure (pdb code 8qea). 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: 96 Fs Structure, PDB code: 8qea:
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: 96 Fs 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: 96 Fs Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:15.8 occ:1.00 O1G A:GTP501 2.1 22.2 1.0 O A:HOH770 2.1 24.6 1.0 O2B A:GTP501 2.1 20.1 1.0 O A:HOH647 2.2 22.2 1.0 O A:HOH623 2.2 23.0 1.0 PG A:GTP501 3.2 21.8 1.0 PB A:GTP501 3.3 21.1 1.0 O3B A:GTP501 3.5 20.8 1.0 O2G A:GTP501 3.7 23.6 1.0 O3A A:GTP501 3.8 19.1 1.0 OD1 A:ASP69 4.1 20.9 1.0 OE2 A:GLU71 4.1 36.6 1.0 NZ B:LYS252 4.2 36.1 0.4 CB A:GLN11 4.2 21.9 1.0 OD2 A:ASP69 4.3 23.1 1.0 NZ B:LYS252 4.3 40.1 0.6 OD2 A:ASP98 4.3 25.2 1.0 CG A:GLU71 4.4 31.4 1.0 N A:GLN11 4.4 20.7 1.0 O3G A:GTP501 4.5 23.7 1.0 CB A:ASP98 4.6 26.6 1.0 O1B A:GTP501 4.6 21.8 1.0 O2A A:GTP501 4.6 24.5 1.0 CG A:ASP69 4.6 25.5 1.0 OE1 A:GLN11 4.6 28.3 1.0 CG A:ASP98 4.7 26.9 1.0 CD A:GLU71 4.7 32.9 1.0 PA A:GTP501 4.8 22.6 1.0 CA A:GLN11 4.9 21.0 1.0

Magnesium binding site 2 out of 2 in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 96 Fs 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: 96 Fs Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:27.8 occ:0.37 OE1 B:GLN11 1.3 34.5 0.4 CD B:GLN11 1.5 36.5 0.4 NE2 B:GLN11 1.5 27.4 0.4 O1G B:GTP701 1.9 34.1 0.4 O2B B:GTP701 2.5 33.6 1.0 O B:HOH803 2.8 46.6 1.0 CG B:GLN11 3.0 34.1 0.4 PG B:GTP701 3.3 35.8 0.4 PB B:GTP701 3.5 33.8 1.0 O3B B:GTP701 3.7 34.6 1.0 O3A B:GTP701 3.7 31.1 1.0 CB B:GLN11 3.7 36.3 0.6 CB B:GLN11 3.8 36.3 0.4 O2G B:GTP701 3.9 39.5 0.4 O2A B:GTP701 4.2 32.0 1.0 N B:GLN11 4.3 32.2 1.0 O3G B:GTP701 4.4 37.0 0.4 PA B:GTP701 4.5 34.9 1.0 OE1 B:GLN11 4.6 47.1 0.6 CA B:GLN11 4.6 34.1 0.6 CD B:GLN11 4.6 43.2 0.6 CA B:GLN11 4.7 34.1 0.4 CB B:GLU69 4.8 57.9 1.0 OD1 B:ASP67 4.8 36.6 1.0 CG B:GLN11 4.8 38.3 0.6 OD2 B:ASP67 4.8 42.7 1.0 O1B B:GTP701 4.9 35.4 1.0

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.