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

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 2ccc was solved by M.Grininger, K.Zeth, D.Oesterhelt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.7
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.850, 142.850, 142.850, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 20.2

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 2ccc). 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: 2ccc:
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:Mg102 b:30.5 occ:1.00 O A:HOH2043 2.1 26.6 1.0 O A:HOH2041 2.2 26.3 1.0 OE2 A:GLU38 4.2 18.1 1.0 O4 A:LFN1067 4.2 23.0 1.0 OE1 A:GLU38 4.2 22.1 1.0 NZ A:LYS5 4.4 20.7 1.0 O A:HOH2077 4.4 37.6 1.0 CD A:GLU38 4.6 21.0 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:Mg1066 b:24.9 occ:1.00 O A:HOH2057 2.1 26.9 1.0 OE2 A:GLU14 2.2 22.8 1.0 O A:HOH2017 2.2 29.0 1.0 CD A:GLU14 3.2 20.3 1.0 OE1 A:GLU14 3.4 21.4 1.0 OE2 A:GLU51 3.7 48.2 1.0 O A:HOH2016 4.3 56.4 1.0 CD A:GLU51 4.5 45.5 1.0 O A:GLU13 4.5 17.5 1.0 CG A:GLU14 4.5 19.5 1.0 OE1 A:GLU51 4.5 46.7 1.0 OE1 A:GLU13 4.6 30.4 1.0 CB A:GLU13 4.6 19.2 1.0 C A:GLU13 5.0 17.3 1.0

M.Grininger, K.Zeth, D.Oesterhelt. Dodecins: A Family of Lumichrome Binding Proteins. J.Mol.Biol. V. 357 842 2006.
ISSN: ISSN 0022-2836
PubMed: 16460756
DOI: 10.1016/J.JMB.2005.12.072