Magnesium in PDB 8ql4: Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 349 Fs Structure

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 349 Fs Structure, PDB code: 8ql4 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 (%)	26.9 / 31.5

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 349 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: 349 Fs Structure (pdb code 8ql4). 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: 349 Fs Structure, PDB code: 8ql4:
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: 349 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: 349 Fs Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:10.7 occ:1.00 O A:HOH731 1.9 21.7 1.0 O2B A:GTP501 2.1 20.1 1.0 O1G A:GTP501 2.1 25.9 1.0 O A:HOH725 2.2 23.1 1.0 PG A:GTP501 3.2 21.4 1.0 PB A:GTP501 3.2 19.7 1.0 O3B A:GTP501 3.5 24.3 1.0 O2G A:GTP501 3.6 22.5 1.0 O3A A:GTP501 3.7 20.0 1.0 OD1 A:ASP69 4.1 22.8 1.0 OE2 A:GLU71 4.1 38.4 1.0 NZ B:LYS252 4.2 31.7 0.6 CB A:GLN11 4.2 26.4 1.0 O B:HOH805 4.3 43.5 1.0 OD2 A:ASP69 4.4 22.2 1.0 OD2 A:ASP98 4.4 30.2 1.0 N A:GLN11 4.4 20.0 1.0 CG A:GLU71 4.4 34.8 1.0 O2A A:GTP501 4.5 21.6 1.0 CB A:ASP98 4.6 24.2 1.0 O3G A:GTP501 4.6 20.2 1.0 O1B A:GTP501 4.6 20.5 1.0 OE1 A:GLN11 4.6 27.1 1.0 CG A:ASP69 4.7 21.7 1.0 PA A:GTP501 4.7 22.5 1.0 CD A:GLU71 4.8 31.8 1.0 CG A:ASP98 4.8 26.5 1.0 CA A:GLN11 4.9 21.1 1.0 OG1 A:THR145 5.0 22.2 1.0

Magnesium binding site 2 out of 2 in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 349 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: 349 Fs Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:18.0 occ:0.37 NE2 B:GLN11 1.2 27.4 0.4 CD B:GLN11 1.5 35.7 0.4 OE1 B:GLN11 1.6 30.9 0.4 O1G B:GTP701 1.9 31.2 0.4 O2B B:GTP701 2.5 33.6 1.0 O B:HOH804 2.7 38.1 1.0 CG B:GLN11 3.0 35.7 0.4 PG B:GTP701 3.3 29.1 0.4 PB B:GTP701 3.5 31.7 1.0 O3B B:GTP701 3.6 31.6 1.0 O3A B:GTP701 3.8 30.9 1.0 CB B:GLN11 3.8 32.1 0.4 CB B:GLN11 3.9 32.1 0.6 O2G B:GTP701 4.0 29.3 0.4 O2A B:GTP701 4.2 32.7 1.0 O B:HOH929 4.3 48.5 1.0 NE2 B:GLN11 4.3 35.6 0.6 N B:GLN11 4.4 30.6 1.0 O3G B:GTP701 4.4 30.9 0.4 PA B:GTP701 4.6 33.1 1.0 OD2 B:ASP67 4.7 35.5 1.0 CB B:GLU69 4.7 50.3 1.0 CA B:GLN11 4.7 31.0 0.4 CA B:GLN11 4.7 31.0 0.6 OD1 B:ASP67 4.8 35.4 1.0 CD B:GLN11 4.8 33.1 0.6 O1B B:GTP701 4.9 32.7 1.0 CG B:GLN11 4.9 33.6 0.6

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.