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

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 2cie was solved by M.Grininger, F.Seiler, 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 / 1.8
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.390, 142.390, 142.390, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 20.9

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 2cie). 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: 2cie:
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:29.6 occ:1.00 O A:HOH2053 2.2 28.4 1.0 OE2 A:GLU14 2.2 24.9 1.0 O A:HOH2016 2.2 30.7 1.0 CD A:GLU14 3.2 23.4 1.0 OE1 A:GLU14 3.5 23.0 1.0 OE1 A:GLU51 3.6 52.3 1.0 CD A:GLU51 4.4 47.5 1.0 OE2 A:GLU51 4.4 47.4 1.0 OE1 A:GLU13 4.5 32.6 1.0 O A:GLU13 4.5 19.1 1.0 CB A:GLU13 4.5 19.5 1.0 CG A:GLU14 4.6 21.3 1.0 O A:HOH2054 4.7 49.7 1.0 C A:GLU13 5.0 18.3 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:48.8 occ:1.00 O A:HOH2041 2.4 38.1 1.0 OE2 A:GLU38 4.1 26.2 1.0 OE1 A:GLU38 4.3 31.0 1.0 O A:HOH2070 4.4 54.1 0.5 O4 A:FAD1066 4.4 15.3 0.5 NZ A:LYS5 4.4 28.8 1.0 CD A:GLU38 4.6 28.2 1.0

M.Grininger, F.Seiler, K.Zeth, D.Oesterhelt. Dodecin Sequesters Fad in Closed Conformation From the Aqueous Solution. J.Mol.Biol. V. 364 561 2006.
ISSN: ISSN 0022-2836
PubMed: 17027852
DOI: 10.1016/J.JMB.2006.08.083