Chlorine in PDB 4b2h: Complexes of Dodecin with Flavin and Flavin-Like Ligands

The structure of Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 4b2h was solved by Y.Yu, B.Heidel, T.L.Parapugna, S.Wenderhold-Reeb, B.Song, H.Schoenherr, M.Grininger, G.Noell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.005, 142.005, 142.005, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 17.8

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

Magnesium	(Mg)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Complexes of Dodecin with Flavin and Flavin-Like Ligands (pdb code 4b2h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 4b2h:

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl106 b:14.9 occ:0.33 NA A:NA104 2.7 14.7 0.3 O A:HOH2037 3.0 33.4 0.3 NE2 A:GLN57 3.3 13.8 1.0 O A:HOH2008 3.7 14.9 1.0 CD2 A:LEU7 4.2 12.6 1.0 CD A:GLN57 4.4 12.3 1.0 OE1 A:GLN57 4.6 13.4 1.0 O A:HOH2069 4.7 28.0 1.0 CB A:LEU7 4.8 11.3 1.0

Y.Yu, B.Heidel, T.L.Parapugna, S.Wenderhold-Reeb, B.Song, H.Schonherr, M.Grininger, G.Noll. The Flavoprotein Dodecin As A Redox Probe For Electron Transfer Through Dna. Angew.Chem.Int.Ed.Engl. V. 52 4950 2013.
ISSN: ISSN 1433-7851
PubMed: 23532984
DOI: 10.1002/ANIE.201208987