Fluorine 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:

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

The binding sites of Fluorine 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 Fluorine atom.
In total only one binding site of Fluorine was determined in the Complexes of Dodecin with Flavin and Flavin-Like Ligands, PDB code: 4b2j:

Fluorine 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 Fluorine with other atoms in the F 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:F36 b:23.1 occ:1.00 F A:4FW36 0.0 23.1 1.0 CE3 A:4FW36 1.4 22.3 1.0 CZ3 A:4FW36 2.4 21.6 1.0 CD2 A:4FW36 2.4 17.9 1.0 CG2 A:VAL35 3.0 18.1 1.0 CG A:4FW36 3.1 15.2 1.0 CB A:4FW36 3.1 14.5 1.0 CB A:VAL35 3.2 16.7 1.0 C A:VAL35 3.3 17.9 1.0 O A:VAL35 3.4 16.3 1.0 N A:4FW36 3.5 12.7 1.0 N10 A:RBF1067 3.6 34.2 1.0 CE2 A:4FW36 3.6 20.0 1.0 CH2 A:4FW36 3.6 21.1 1.0 CA A:VAL35 3.9 15.8 1.0 C10 A:RBF1067 3.9 33.6 1.0 N1 A:RBF1067 3.9 36.7 1.0 CA A:4FW36 4.0 13.2 1.0 CZ2 A:4FW36 4.1 21.2 1.0 C9A A:RBF1067 4.1 28.6 1.0 CD1 A:4FW36 4.4 17.6 1.0 C9 A:RBF1067 4.5 30.1 1.0 CG1 A:VAL35 4.5 19.1 1.0 NE1 A:4FW36 4.6 18.8 1.0 C4A A:RBF1067 4.7 30.4 1.0 C2 A:RBF1067 4.8 34.4 1.0 CB A:ALA61 4.9 10.2 1.0 N A:VAL35 4.9 14.4 1.0 C5A A:RBF1067 4.9 28.3 1.0 O A:HOH2085 5.0 54.4 1.0 C A:4FW36 5.0 13.9 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