Magnesium in PDB 4b2k: Complexes of Dodecin with Flavin and Flavin-Like Ligands

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 4b2k was solved by H.Staudt, M.Hoesl, A.Dreuw, S.Serdjukow, D.Oesterhelt, N.Budisa, J.Wachtveitl, M.Grininger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.301, 142.301, 142.301, 90.00, 90.00, 90.00
R / Rfree (%)	17.163 / 19.725

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 4b2k). 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: 4b2k:
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:33.7 occ:1.00 O A:HOH2032 2.0 31.9 1.0 OE2 A:GLU14 2.1 30.7 1.0 O A:HOH2083 2.1 33.0 1.0 O A:HOH2026 2.2 35.5 1.0 O A:HOH2025 2.2 39.6 1.0 CD A:GLU14 3.1 25.5 1.0 OE1 A:GLU14 3.4 30.2 1.0 OE1 A:GLU51 3.9 75.5 1.0 CG A:GLU14 4.4 26.7 1.0 O A:GLU13 4.5 25.1 1.0 O A:HOH2027 4.6 65.9 1.0 CB A:GLU13 4.6 29.6 1.0 OE2 A:GLU51 4.6 63.9 1.0 OE1 A:GLU13 4.6 44.1 1.0 CD A:GLU51 4.7 81.0 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:Mg102 b:62.2 occ:1.00 O A:HOH2090 2.1 63.0 1.0 O A:HOH2093 2.2 60.2 1.0 O A:HOH2091 2.3 53.1 1.0 O A:HOH2092 2.4 57.0 1.0 O A:HOH2101 3.7 59.6 0.5 O4 A:RBF1067 4.2 41.6 1.0 O A:HOH2098 4.3 55.2 1.0 OE2 A:GLU38 4.3 36.8 1.0 NZ A:LYS5 4.4 33.3 1.0 OE1 A:GLU38 4.4 38.9 1.0 CD A:GLU38 4.7 44.9 1.0

H.Staudt, M.G.Hoesl, A.Dreuw, S.Serdjukow, D.Oesterhelt, N.Budisa, J.Wachtveitl, M.Grininger. Directed Manipulation of A Flavoprotein Photocycle. Angew.Chem.Int.Ed.Engl. V. 52 8463 2013.
ISSN: ISSN 1433-7851
PubMed: 23818044
DOI: 10.1002/ANIE.201302334