Magnesium in PDB 8ql9: Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 Ns Structure

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 Ns Structure, PDB code: 8ql9 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 (%)	26.1 / 30.6

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 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: 1 Ns Structure (pdb code 8ql9). 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 Ns Structure, PDB code: 8ql9:
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 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: 1 Ns Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:25.1 occ:0.50 MG A:MG502 0.0 25.1 0.5 MG A:MG502 0.6 24.5 0.5 O A:HOH673 2.0 23.4 1.0 O1G A:GTP501 2.0 22.8 0.5 O A:HOH624 2.1 26.2 1.0 O2B A:GTP501 2.1 17.6 0.5 O A:HOH643 2.1 23.0 1.0 O A:HOH664 2.2 25.6 1.0 O2B A:GTP501 2.4 19.1 0.5 O1G A:GTP501 2.5 20.1 0.5 PG A:GTP501 3.1 19.1 0.5 PB A:GTP501 3.2 21.8 0.5 PB A:GTP501 3.4 22.1 0.5 O3B A:GTP501 3.4 23.5 0.5 O3A A:GTP501 3.6 21.9 0.5 O2G A:GTP501 3.6 22.4 0.5 PG A:GTP501 3.7 22.3 0.5 OE2 A:GLU71 3.7 23.5 0.5 O3B A:GTP501 3.9 19.4 0.5 CB A:GLN11 4.0 19.8 0.5 O3A A:GTP501 4.0 19.1 0.5 OE2 A:GLU71 4.0 31.1 0.5 OD2 A:ASP69 4.0 22.2 0.5 OD1 A:ASP69 4.1 25.0 0.5 CG A:GLU71 4.1 27.9 0.5 CB A:GLN11 4.1 23.8 0.5 OD1 A:ASP69 4.1 24.2 0.5 O2G A:GTP501 4.2 20.3 0.5 OD2 A:ASP69 4.2 21.7 0.5 OD2 A:ASP98 4.3 27.6 0.5 OE1 A:GLN11 4.3 22.0 0.5 N A:GLN11 4.3 21.6 0.5 N A:GLN11 4.3 21.4 0.5 O3G A:GTP501 4.4 22.9 0.5 O1B A:GTP501 4.4 18.0 0.5 O A:HOH618 4.4 42.3 1.0 CB A:ASP98 4.5 22.4 0.5 CG A:ASP69 4.5 23.8 0.5 CG A:GLU71 4.5 25.8 0.5 CD A:GLU71 4.5 27.1 0.5 CD A:GLU71 4.5 27.1 0.5 O2A A:GTP501 4.5 26.7 0.5 CB A:ASP98 4.6 23.2 0.5 CG A:ASP69 4.6 24.0 0.5 OD2 A:ASP98 4.7 29.0 0.5 CA A:GLN11 4.7 22.1 0.5 OE1 A:GLN11 4.7 16.5 0.5 PA A:GTP501 4.7 24.9 0.5 O2A A:GTP501 4.7 25.7 0.5 O1B A:GTP501 4.7 20.5 0.5 CA A:GLN11 4.8 20.7 0.5 CG A:ASP98 4.8 28.3 0.5 O A:HOH607 4.9 39.8 1.0 PA A:GTP501 4.9 24.1 0.5 O3G A:GTP501 4.9 24.8 0.5 CG A:ASP98 5.0 26.7 0.5

Magnesium binding site 2 out of 2 in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 1 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: 1 Ns Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:24.5 occ:0.50 MG A:MG502 0.0 24.5 0.5 MG A:MG502 0.6 25.1 0.5 O1G A:GTP501 1.6 22.8 0.5 O A:HOH664 1.8 25.6 1.0 O2B A:GTP501 2.1 17.6 0.5 O A:HOH624 2.2 26.2 1.0 O1G A:GTP501 2.2 20.1 0.5 O A:HOH673 2.4 23.4 1.0 O2B A:GTP501 2.4 19.1 0.5 O A:HOH643 2.6 23.0 1.0 PG A:GTP501 2.9 19.1 0.5 PB A:GTP501 3.0 21.8 0.5 PB A:GTP501 3.2 22.1 0.5 O3A A:GTP501 3.2 21.9 0.5 O3B A:GTP501 3.2 23.5 0.5 PG A:GTP501 3.4 22.3 0.5 O3A A:GTP501 3.6 19.1 0.5 O2G A:GTP501 3.6 22.4 0.5 O3B A:GTP501 3.7 19.4 0.5 O A:HOH618 3.9 42.3 1.0 CB A:GLN11 4.0 19.8 0.5 O3G A:GTP501 4.0 22.9 0.5 O2G A:GTP501 4.1 20.3 0.5 OE2 A:GLU71 4.1 23.5 0.5 OE1 A:GLN11 4.2 22.0 0.5 O2A A:GTP501 4.2 26.7 0.5 CB A:GLN11 4.2 23.8 0.5 OD2 A:ASP98 4.3 27.6 0.5 O2A A:GTP501 4.3 25.7 0.5 O A:HOH607 4.4 39.8 1.0 PA A:GTP501 4.4 24.9 0.5 O1B A:GTP501 4.4 18.0 0.5 OE2 A:GLU71 4.4 31.1 0.5 N A:GLN11 4.5 21.4 0.5 PA A:GTP501 4.5 24.1 0.5 CG A:GLU71 4.6 27.9 0.5 OD1 A:ASP69 4.6 25.0 0.5 OD2 A:ASP69 4.6 22.2 0.5 N A:GLN11 4.6 21.6 0.5 O3G A:GTP501 4.6 24.8 0.5 O1B A:GTP501 4.6 20.5 0.5 OD1 A:ASP69 4.6 24.2 0.5 CB A:ASP98 4.6 22.4 0.5 OD2 A:ASP98 4.7 29.0 0.5 OE1 A:GLN11 4.7 16.5 0.5 CB A:ASP98 4.7 23.2 0.5 OD2 A:ASP69 4.8 21.7 0.5 CA A:GLN11 4.8 22.1 0.5 CG A:GLU71 4.9 25.8 0.5 CG A:ASP98 4.9 28.3 0.5 O1A A:GTP501 4.9 22.1 0.5 CD A:GLU71 4.9 27.1 0.5 CD A:GLU71 4.9 27.1 0.5 CD A:GLN11 4.9 21.5 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.