Sodium in PDB 4b2j: Complexes of Dodecin with Flavin and Flavin-Like Ligands

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 4b2j 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 / 1.90
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.900, 142.900, 142.900, 90.00, 90.00, 90.00
R / Rfree (%)	16.509 / 18.639

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Sodium atom in the Complexes of Dodecin with Flavin and Flavin-Like Ligands (pdb code 4b2j). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 4b2j:

Sodium binding site 1 out of 1 in the Complexes of Dodecin with Flavin and Flavin-Like Ligands


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na 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:Na103 b:18.1 occ:0.33 O A:HOH2082 2.3 10.4 1.0 CL A:CL104 2.7 15.4 0.3 O A:HOH2083 2.8 22.6 0.3 O A:HOH2009 4.2 14.1 1.0 CB A:LEU7 4.4 9.5 1.0 NE2 A:GLN59 4.7 10.3 1.0 OE1 A:GLN59 4.7 10.6 1.0 O A:LYS5 4.9 12.3 1.0 CD2 A:LEU7 4.9 11.0 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