Magnesium in PDB 2vkg: Complexes of Dodecin with Flavin and Flavin-Like Ligands

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 2vkg was solved by M.Grininger, G.Noell, S.Trawoeger, E.Sinner, D.Oesterhelt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.75 / 1.8
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.030, 142.030, 142.030, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 21.3

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

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 2vkg). 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: 2vkg:
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:Mg1061 b:40.2 occ:1.00 O A:HOH2055 2.3 28.2 1.0 O A:HOH2053 2.3 27.7 1.0 O A:HOH2028 4.0 51.9 0.5 OE2 A:GLU38 4.1 20.6 1.0 OE1 A:GLU38 4.3 23.2 1.0 NZ A:LYS5 4.3 17.6 1.0 CD A:GLU38 4.6 20.2 1.0 O4 A:CF41064 4.8 28.9 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:Mg1062 b:51.5 occ:1.00 OE2 A:GLU14 2.1 15.2 1.0 O A:HOH2025 2.1 31.1 1.0 O A:HOH2023 2.1 19.0 1.0 O A:HOH2022 2.5 22.4 1.0 CD A:GLU14 3.0 15.4 1.0 OE1 A:GLU14 3.2 14.0 1.0 O A:HOH2020 4.1 25.1 1.0 O A:GLU13 4.3 14.5 1.0 CG A:GLU14 4.4 15.1 1.0 CB A:GLU13 4.6 14.8 1.0 OE1 A:GLU13 4.8 24.9 1.0 C A:GLU13 4.8 13.6 1.0

M.Grininger, G.Noell, S.Trawoeger, E.Sinner, D.Oesterhelt. Electrochemical Switching of the Flavoprotein Dodecin at Gold Surfaces Modified By Flavin-Dna Hybrid Linkers Biointerphases V. 3 51 2008.
ISSN: ISSN 1934-8630
PubMed: 20408700
DOI: 10.1116/1.2965134