Magnesium in PDB 8ql3: Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 233 Fs Structure

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 233 Fs Structure, PDB code: 8ql3 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 (%)	23.7 / 27.5

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 233 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: 233 Fs Structure (pdb code 8ql3). 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: 233 Fs Structure, PDB code: 8ql3:
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: 233 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: 233 Fs Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:13.3 occ:1.00 O A:HOH700 1.9 24.1 1.0 O A:HOH755 2.1 23.0 1.0 O A:HOH638 2.1 20.6 1.0 O1G A:GTP501 2.1 20.4 1.0 O2B A:GTP501 2.1 18.2 1.0 PB A:GTP501 3.2 21.1 1.0 PG A:GTP501 3.3 20.8 1.0 O3B A:GTP501 3.5 21.9 1.0 O2G A:GTP501 3.7 19.7 1.0 O3A A:GTP501 3.8 17.9 1.0 OD1 A:ASP69 4.0 21.7 1.0 O B:HOH804 4.0 32.2 0.6 OE2 A:GLU71 4.1 36.2 1.0 NZ B:LYS252 4.2 28.0 0.6 OD2 A:ASP98 4.2 24.9 1.0 CB A:GLN11 4.2 23.1 1.0 CG A:GLU71 4.3 30.8 1.0 OD2 A:ASP69 4.3 21.9 1.0 N A:GLN11 4.4 20.0 1.0 O1B A:GTP501 4.5 20.6 1.0 CB A:ASP98 4.5 26.7 1.0 O3G A:GTP501 4.6 23.1 1.0 CG A:ASP69 4.6 22.4 1.0 O2A A:GTP501 4.6 27.1 1.0 CG A:ASP98 4.7 22.9 1.0 CD A:GLU71 4.7 28.9 1.0 OE1 A:GLN11 4.7 27.8 1.0 PA A:GTP501 4.8 22.2 1.0 OG1 A:THR145 4.9 19.4 1.0 CA A:GLN11 4.9 22.7 1.0

Magnesium binding site 2 out of 2 in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 233 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: 233 Fs Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:25.0 occ:0.37 NE2 B:GLN11 0.8 31.8 0.4 CD B:GLN11 1.8 30.6 0.4 O1G B:GTP701 2.1 33.1 0.4 OE1 B:GLN11 2.3 27.8 0.4 O2B B:GTP701 2.5 30.0 1.0 O B:HOH824 2.8 40.9 1.0 CG B:GLN11 3.0 34.9 0.4 O B:HOH802 3.2 42.5 1.0 PG B:GTP701 3.2 34.3 0.4 PB B:GTP701 3.4 31.4 1.0 O3B B:GTP701 3.5 35.0 1.0 O3A B:GTP701 3.5 30.2 1.0 O2G B:GTP701 3.8 38.4 0.4 CB B:GLN11 3.9 35.0 0.6 CB B:GLN11 4.0 35.0 0.4 O2A B:GTP701 4.0 33.4 1.0 O B:HOH869 4.3 52.7 1.0 PA B:GTP701 4.4 39.7 1.0 N B:GLN11 4.5 31.1 1.0 O3G B:GTP701 4.5 39.1 0.4 OE1 B:GLN11 4.6 40.4 0.6 O1B B:GTP701 4.8 30.7 1.0 CD B:GLN11 4.8 38.1 0.6 CA B:GLN11 4.8 32.4 0.6 CB B:GLU69 4.9 51.4 1.0 CA B:GLN11 4.9 32.4 0.4 CG B:GLN11 5.0 34.7 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.