Magnesium in PDB 2cc8: Complexes of Dodecin with Flavin and Flavin-Like Ligands

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 2cc8 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 / 1.90
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.350, 142.350, 142.350, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22.5

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 2cc8). 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: 2cc8:
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:52.7 occ:1.00 O A:HOH2043 2.4 40.5 1.0 O A:HOH2044 2.5 33.8 1.0 OE2 A:GLU38 4.1 25.1 1.0 OE1 A:GLU38 4.3 28.8 1.0 O A:HOH2045 4.4 59.1 1.0 O4 A:RBF1067 4.4 27.2 1.0 NZ A:LYS5 4.4 27.7 1.0 CD A:GLU38 4.6 28.6 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:38.0 occ:1.00 OE2 A:GLU14 2.1 29.1 1.0 O A:HOH2061 2.2 37.6 1.0 CD A:GLU14 3.1 24.6 1.0 OE1 A:GLU14 3.3 28.8 1.0 OE2 A:GLU51 3.8 54.3 1.0 O A:HOH2063 4.3 57.0 1.0 CG A:GLU14 4.4 24.0 1.0 O A:GLU13 4.7 24.1 1.0 OE1 A:GLU13 4.7 37.9 1.0 CB A:GLU13 4.7 26.1 1.0 CD A:GLU51 4.8 51.8 1.0 OE1 A:GLU51 4.9 52.7 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