Magnesium in PDB 2cc7: Complexes of Dodecin with Flavin and Flavin-Like Ligands

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 2cc7 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)	15.00 / 1.8
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.410, 142.410, 142.410, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 21.9

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 2cc7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 2cc7:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 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:40.5 occ:0.50 N1 A:LUM1068 4.2 23.5 1.0 N10 A:LUM1068 4.2 22.4 1.0 O A:HOH2077 4.5 45.8 1.0 C10 A:LUM1068 4.6 23.9 1.0 O A:HOH2039 4.8 47.2 1.0

Magnesium binding site 2 out of 3 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:Mg103 b:63.8 occ:1.00 O A:HOH2041 2.4 28.0 1.0 O A:HOH2040 2.5 35.8 1.0 O4 A:LUM1068 4.2 24.7 1.0 NZ A:LYS5 4.3 26.8 1.0 O A:HOH2076 4.3 35.0 1.0 OE2 A:GLU38 4.3 22.6 1.0 OE1 A:GLU38 4.5 26.6 1.0 CD A:GLU38 4.8 26.1 1.0

Magnesium binding site 3 out of 3 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 3 of Complexes of Dodecin with Flavin and Flavin-Like Ligands within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1066 b:34.8 occ:1.00 OE2 A:GLU14 2.1 29.4 1.0 O A:HOH2060 2.2 37.0 1.0 O A:HOH2016 2.3 41.6 1.0 CD A:GLU14 3.1 27.8 1.0 OE1 A:GLU14 3.4 29.4 1.0 OE2 A:GLU51 3.8 55.6 1.0 CG A:GLU14 4.5 25.7 1.0 O A:GLU13 4.6 22.9 1.0 CD A:GLU51 4.6 54.5 1.0 CB A:GLU13 4.7 25.4 1.0 OE1 A:GLU13 4.7 37.0 1.0 OE1 A:GLU51 4.7 55.8 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