Calcium in PDB 8qlb: Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 100 Ns Structure

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 100 Ns Structure, PDB code: 8qlb 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 (%)	27.3 / 29.9

The structure of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 100 Ns Structure also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 100 Ns Structure (pdb code 8qlb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 100 Ns Structure, PDB code: 8qlb:

Calcium binding site 1 out of 1 in the Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 100 Ns Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ultrafast Structural Transitions in An Azobenzene Photoswitch at Near- Atomic Resolution: 100 Ns Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:40.4 occ:1.00 O A:GLY44 2.3 42.9 1.0 O A:HOH627 2.3 38.2 1.0 O A:THR41 2.3 49.6 1.0 OE2 A:GLU55 2.4 39.4 1.0 OE1 A:GLU55 2.5 48.0 1.0 OD2 A:ASP39 2.5 47.3 1.0 OG1 A:THR41 2.5 39.7 1.0 OD1 A:ASP39 2.6 47.9 1.0 CD A:GLU55 2.8 46.5 1.0 CG A:ASP39 2.9 49.3 1.0 C A:GLY44 3.4 43.4 1.0 C A:THR41 3.4 53.7 1.0 CB A:THR41 3.5 46.4 1.0 CA A:THR41 3.9 47.2 1.0 N A:GLY45 4.2 45.9 1.0 CA A:GLY45 4.2 46.7 1.0 N A:GLY44 4.3 50.8 1.0 N A:THR41 4.3 45.8 1.0 CG A:GLU55 4.3 41.3 1.0 CA A:GLY44 4.3 50.1 1.0 CB A:ASP39 4.5 44.1 1.0 N A:ILE42 4.6 50.9 1.0 OD2 A:ASP47 4.6 36.2 1.0 OD1 A:ASN50 4.6 42.0 1.0 CZ A:PHE49 4.6 41.8 1.0 NE2 A:HIS61 4.7 39.0 1.0 ND2 A:ASN50 4.7 35.1 1.0 CG2 A:THR41 4.9 45.5 1.0 CE2 A:PHE49 4.9 42.1 1.0 CA A:ILE42 5.0 50.6 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.