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

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 2ccb 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 / 1.65
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.040, 142.040, 142.040, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 21.4

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 2ccb). 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: 2ccb:
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:33.2 occ:1.00 O A:HOH2049 2.2 36.0 1.0 O A:HOH2046 2.3 32.5 1.0 OE2 A:GLU38 4.0 21.3 1.0 OE1 A:GLU38 4.2 23.9 1.0 NZ A:LYS5 4.2 24.2 1.0 O A:HOH2047 4.4 55.3 1.0 CD A:GLU38 4.5 22.5 1.0 O4 A:RBF1067 4.5 23.6 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:19.5 occ:1.00 O A:HOH2062 2.1 21.4 1.0 OE2 A:GLU14 2.1 19.9 1.0 O A:HOH2016 2.1 23.4 1.0 CD A:GLU14 3.1 16.4 1.0 OE2 A:GLU51 3.4 43.6 1.0 OE1 A:GLU14 3.4 18.8 1.0 CD A:GLU51 4.2 38.9 1.0 OE1 A:GLU51 4.3 39.3 1.0 O A:GLU13 4.4 15.1 1.0 CG A:GLU14 4.5 15.1 1.0 CB A:GLU13 4.5 15.5 1.0 OE1 A:GLU13 4.5 28.2 1.0 C A:GLU13 4.9 14.7 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