Magnesium in PDB 4b2j: Complexes of Dodecin with Flavin and Flavin-Like Ligands

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 4b2j was solved by H.Staudt, M.Hoesl, A.Dreuw, S.Serdjukow, D.Oesterhelt, N.Budisa, J.Wachtveitl, M.Grininger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.900, 142.900, 142.900, 90.00, 90.00, 90.00
R / Rfree (%)	16.509 / 18.639

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Chlorine	(Cl)	1 atom
Sodium	(Na)	1 atom

The binding sites of Magnesium atom in the Complexes of Dodecin with Flavin and Flavin-Like Ligands (pdb code 4b2j). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 4b2j:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Complexes of Dodecin with Flavin and Flavin-Like Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complexes of Dodecin with Flavin and Flavin-Like Ligands within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:30.1 occ:1.00 OE2 A:GLU14 2.2 19.8 1.0 O A:HOH2029 2.2 22.9 1.0 O A:HOH2069 2.2 20.7 1.0 O A:HOH2024 2.3 28.0 1.0 O A:HOH2023 2.3 31.8 1.0 CD A:GLU14 3.1 17.4 1.0 OE1 A:GLU14 3.4 19.2 1.0 OE1 A:GLU51 3.8 74.3 1.0 O A:HOH2070 4.4 54.0 1.0 CG A:GLU14 4.5 17.1 1.0 OE2 A:GLU51 4.6 50.4 1.0 O A:GLU13 4.6 14.5 1.0 CD A:GLU51 4.6 67.2 1.0 CB A:GLU13 4.6 19.1 1.0 OE1 A:GLU13 4.6 31.9 1.0

Magnesium binding site 2 out of 2 in the Complexes of Dodecin with Flavin and Flavin-Like Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Complexes of Dodecin with Flavin and Flavin-Like Ligands within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg102 b:62.1 occ:1.00 O A:HOH2080 2.1 48.0 1.0 O A:HOH2078 2.3 71.9 1.0 O A:HOH2079 2.4 44.7 1.0 O A:HOH2081 2.4 53.3 1.0 NZ A:LYS5 4.1 22.3 1.0 OE2 A:GLU38 4.1 26.6 1.0 OE1 A:GLU38 4.2 31.6 1.0 O A:HOH2087 4.2 51.1 1.0 O4 A:RBF1067 4.4 29.9 1.0 CD A:GLU38 4.6 33.3 1.0

H.Staudt, M.G.Hoesl, A.Dreuw, S.Serdjukow, D.Oesterhelt, N.Budisa, J.Wachtveitl, M.Grininger. Directed Manipulation of A Flavoprotein Photocycle. Angew.Chem.Int.Ed.Engl. V. 52 8463 2013.
ISSN: ISSN 1433-7851
PubMed: 23818044
DOI: 10.1002/ANIE.201302334