Chlorine 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:

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

The binding sites of Chlorine 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 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: 2cie:

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:Cl105 b:18.6 occ:0.33 NA A:NA103 2.7 21.3 0.3 O A:HOH2026 3.1 36.1 0.3 NE2 A:GLN59 3.2 15.2 1.0 O A:HOH2066 3.8 14.8 1.0 CD2 A:LEU7 4.2 13.8 1.0 CD A:GLN59 4.3 14.1 1.0 OE1 A:GLN59 4.6 14.8 1.0 O A:HOH2065 4.6 37.4 1.0 CB A:LEU7 4.9 14.1 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