Magnesium in PDB 8ql6: Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 25 Ps Structure

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 25 Ps Structure, PDB code: 8ql6 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 (%)	21.2 / 25.6

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 25 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: 25 Ps Structure (pdb code 8ql6). 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: 25 Ps Structure, PDB code: 8ql6:
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: 25 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: 25 Ps Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:19.6 occ:1.00 O1G A:GTP501 2.0 23.0 1.0 O A:HOH650 2.1 20.7 1.0 O2B A:GTP501 2.1 19.2 1.0 O A:HOH651 2.1 22.1 1.0 PG A:GTP501 3.1 19.6 1.0 PB A:GTP501 3.2 20.3 1.0 O3B A:GTP501 3.5 20.9 1.0 O2G A:GTP501 3.7 20.7 1.0 O3A A:GTP501 3.8 18.5 1.0 O B:HOH801 4.0 36.2 1.0 OE2 A:GLU71 4.0 37.6 1.0 OD1 A:ASP69 4.1 21.1 1.0 NZ B:LYS252 4.2 34.8 0.6 CB A:GLN11 4.2 25.1 1.0 OD2 A:ASP98 4.3 29.6 1.0 OD2 A:ASP69 4.3 23.9 1.0 CG A:GLU71 4.3 29.3 1.0 N A:GLN11 4.4 19.5 1.0 O3G A:GTP501 4.5 22.5 1.0 O1B A:GTP501 4.5 20.6 1.0 CB A:ASP98 4.5 26.7 1.0 O2A A:GTP501 4.6 24.3 1.0 CG A:ASP69 4.6 26.3 1.0 CD A:GLU71 4.7 35.7 1.0 CG A:ASP98 4.7 25.0 1.0 OE1 A:GLN11 4.8 31.5 1.0 PA A:GTP501 4.8 22.2 1.0 CA A:GLN11 4.9 21.6 1.0 OG1 A:THR145 5.0 20.0 1.0

Magnesium binding site 2 out of 2 in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 25 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: 25 Ps Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:24.2 occ:0.37 NE2 B:GLN11 1.5 30.8 0.4 OE1 B:GLN11 1.6 33.0 0.4 CD B:GLN11 1.7 37.1 0.4 O1G B:GTP701 1.9 30.6 0.4 O2B B:GTP701 2.4 33.9 1.0 O B:HOH802 2.8 43.5 1.0 PG B:GTP701 3.2 28.6 0.4 CG B:GLN11 3.2 37.3 0.4 PB B:GTP701 3.4 36.6 1.0 O3B B:GTP701 3.5 35.7 1.0 O3A B:GTP701 3.5 32.5 1.0 O2G B:GTP701 3.8 32.9 0.4 CB B:GLN11 3.9 34.0 0.4 CB B:GLN11 4.0 34.0 0.6 O2A B:GTP701 4.1 40.8 1.0 PA B:GTP701 4.4 36.7 1.0 N B:GLN11 4.4 31.3 1.0 O3G B:GTP701 4.4 40.5 0.4 O1B B:GTP701 4.8 33.2 1.0 CA B:GLN11 4.8 35.1 0.4 CA B:GLN11 4.8 35.1 0.6 OD2 B:ASP67 4.9 43.3 1.0 NE2 B:GLN11 4.9 42.4 0.6 CB B:GLU69 4.9 53.3 1.0 O1A B:GTP701 5.0 36.2 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.