Magnesium in PDB 8qla: Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 10 Ns Structure

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 10 Ns Structure, PDB code: 8qla 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 (%)	26.6 / 30.2

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 10 Ns Structure also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 10 Ns Structure (pdb code 8qla). 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: 10 Ns Structure, PDB code: 8qla:
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: 10 Ns 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: 10 Ns Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:23.9 occ:0.20 MG A:MG502 0.0 23.9 0.2 MG A:MG502 0.6 26.2 0.8 O A:HOH621 1.8 25.8 1.0 O1G A:GTP501 1.9 24.2 0.2 O A:HOH626 1.9 26.4 1.0 O A:HOH620 2.0 25.6 1.0 O1G A:GTP501 2.3 25.8 0.8 O2B A:GTP501 2.3 19.5 0.8 O A:HOH615 2.6 26.9 1.0 O2B A:GTP501 2.7 22.3 0.2 PG A:GTP501 2.9 26.1 0.2 O2G A:GTP501 3.0 22.6 0.2 PG A:GTP501 3.4 21.5 0.8 PB A:GTP501 3.4 22.3 0.2 PB A:GTP501 3.5 24.2 0.8 O3A A:GTP501 3.5 14.6 0.2 O3B A:GTP501 3.6 23.2 0.2 O2G A:GTP501 3.7 24.3 0.8 OE2 A:GLU71 3.7 36.9 0.8 O3B A:GTP501 3.7 24.8 0.8 OD1 A:ASP69 3.8 26.2 0.8 OE2 A:GLU71 3.8 33.1 0.2 OD2 A:ASP98 3.8 30.7 0.2 CG A:GLU71 3.9 32.0 0.2 OD2 A:ASP69 4.0 27.8 0.8 CG A:GLU71 4.0 32.3 0.8 CB A:ASP98 4.1 28.9 0.2 O3G A:GTP501 4.1 25.0 0.2 OD1 A:ASP69 4.2 24.3 0.2 OD2 A:ASP69 4.3 26.9 0.2 CG A:ASP69 4.3 27.4 0.8 O3A A:GTP501 4.3 20.1 0.8 OD2 A:ASP98 4.3 34.4 0.8 CD A:GLU71 4.3 37.6 0.8 CB A:ASP98 4.3 27.7 0.8 CD A:GLU71 4.3 35.8 0.2 CB A:GLN11 4.4 22.4 0.8 CB A:GLN11 4.4 23.3 0.2 CG A:ASP98 4.5 29.2 0.2 N A:GLN11 4.5 23.1 0.2 OG1 A:THR145 4.6 22.6 0.2 N A:GLN11 4.6 23.1 0.8 O1B A:GTP501 4.6 20.1 0.8 CG A:ASP69 4.7 26.2 0.2 OE1 A:GLN11 4.7 25.2 0.2 CG A:ASP98 4.7 29.4 0.8 O3G A:GTP501 4.7 23.2 0.8 O A:HOH656 4.8 39.4 1.0 O1B A:GTP501 4.9 21.4 0.2 PA A:GTP501 4.9 24.4 0.2 OE1 A:GLN11 4.9 23.4 0.8 OG1 A:THR145 5.0 21.3 0.8 O2A A:GTP501 5.0 23.3 0.8

Magnesium binding site 2 out of 2 in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 10 Ns 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: 10 Ns Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:26.2 occ:0.80 MG A:MG502 0.0 26.2 0.8 MG A:MG502 0.6 23.9 0.2 O1G A:GTP501 1.5 24.2 0.2 O1G A:GTP501 2.0 25.8 0.8 O2B A:GTP501 2.1 19.5 0.8 O A:HOH615 2.1 26.9 1.0 O A:HOH620 2.2 25.6 1.0 O A:HOH626 2.2 26.4 1.0 O A:HOH621 2.3 25.8 1.0 PG A:GTP501 2.6 26.1 0.2 O2B A:GTP501 2.6 22.3 0.2 O3A A:GTP501 3.0 14.6 0.2 O2G A:GTP501 3.0 22.6 0.2 PB A:GTP501 3.1 22.3 0.2 PB A:GTP501 3.1 24.2 0.8 PG A:GTP501 3.2 21.5 0.8 O3B A:GTP501 3.3 23.2 0.2 O3B A:GTP501 3.5 24.8 0.8 O2G A:GTP501 3.7 24.3 0.8 O3A A:GTP501 3.8 20.1 0.8 O3G A:GTP501 3.8 25.0 0.2 OD2 A:ASP98 4.0 30.7 0.2 OE2 A:GLU71 4.0 36.9 0.8 OE2 A:GLU71 4.2 33.1 0.2 CB A:GLN11 4.2 22.4 0.8 CB A:GLN11 4.2 23.3 0.2 OD1 A:ASP69 4.2 26.2 0.8 O A:HOH656 4.3 39.4 1.0 OD2 A:ASP69 4.4 27.8 0.8 OE1 A:GLN11 4.4 25.2 0.2 PA A:GTP501 4.4 24.4 0.2 O1B A:GTP501 4.4 20.1 0.8 O2A A:GTP501 4.4 23.3 0.8 O3G A:GTP501 4.5 23.2 0.8 CG A:GLU71 4.5 32.0 0.2 N A:GLN11 4.5 23.1 0.2 OD2 A:ASP98 4.5 34.4 0.8 CB A:ASP98 4.5 28.9 0.2 N A:GLN11 4.5 23.1 0.8 O1B A:GTP501 4.6 21.4 0.2 CG A:GLU71 4.6 32.3 0.8 OD1 A:ASP69 4.7 24.3 0.2 OE1 A:GLN11 4.7 23.4 0.8 CB A:ASP98 4.7 27.7 0.8 CG A:ASP98 4.7 29.2 0.2 PA A:GTP501 4.7 23.9 0.8 CG A:ASP69 4.7 27.4 0.8 OD2 A:ASP69 4.7 26.9 0.2 O2A A:GTP501 4.8 24.2 0.2 CD A:GLU71 4.8 35.8 0.2 OG1 A:THR145 4.8 22.6 0.2 CD A:GLU71 4.8 37.6 0.8 CG A:ASP98 4.9 29.4 0.8 O1A A:GTP501 4.9 22.2 0.2 CA A:GLN11 4.9 25.7 0.8 CA A:GLN11 5.0 24.1 0.2

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.