Bromine in PDB 6f01: Arabidopsis Thaliana GSTF9, GSO3 and Gsoh Bound

All present enzymatic activity of Arabidopsis Thaliana GSTF9, GSO3 and Gsoh Bound:
2.5.1.18;

The structure of Arabidopsis Thaliana GSTF9, GSO3 and Gsoh Bound, PDB code: 6f01 was solved by M.A.Tossounian, K.Wahni, I.Van Molle, D.Vertommen, L.Rosado, J.Messens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.84 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.760, 114.760, 90.310, 90.00, 90.00, 120.00
R / Rfree (%)	16.4 / 20.9

The binding sites of Bromine atom in the Arabidopsis Thaliana GSTF9, GSO3 and Gsoh Bound (pdb code 6f01). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Arabidopsis Thaliana GSTF9, GSO3 and Gsoh Bound, PDB code: 6f01:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Arabidopsis Thaliana GSTF9, GSO3 and Gsoh Bound


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Arabidopsis Thaliana GSTF9, GSO3 and Gsoh Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:49.7 occ:1.00 N A:VAL32 3.5 31.6 1.0 CA A:GLY7 3.5 37.8 1.0 CD A:PRO8 3.5 28.8 1.0 N A:HIS9 3.6 39.0 1.0 C A:GLY7 3.6 39.4 1.0 CB A:HIS9 3.7 47.3 1.0 N A:PRO8 3.7 36.8 1.0 CE1 A:PHE10 3.7 42.0 1.0 CA A:PRO31 3.7 31.7 1.0 ND1 A:HIS9 3.9 70.7 1.0 CG A:HIS9 4.0 60.3 1.0 CD1 A:PHE10 4.1 41.9 1.0 C A:PRO31 4.1 39.6 1.0 O A:VAL32 4.1 48.7 1.0 O A:GLY7 4.2 39.2 1.0 CB A:PRO31 4.2 34.8 1.0 CA A:HIS9 4.2 40.3 1.0 N A:GLY7 4.4 40.4 1.0 CG A:PRO8 4.4 33.2 1.0 CA A:VAL32 4.5 43.1 1.0 C A:PRO8 4.6 33.4 1.0 CA A:PRO8 4.7 34.5 1.0 C A:VAL32 4.7 44.4 1.0 CZ A:PHE10 4.7 43.1 1.0 N A:PRO31 4.9 35.1 1.0 CE1 A:HIS9 4.9 72.5 1.0 CB A:VAL32 4.9 46.2 1.0 CD2 A:HIS9 4.9 62.5 1.0 N A:PHE10 5.0 32.0 1.0

Bromine binding site 2 out of 2 in the Arabidopsis Thaliana GSTF9, GSO3 and Gsoh Bound


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Arabidopsis Thaliana GSTF9, GSO3 and Gsoh Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Br304 b:52.8 occ:1.00 CD B:PRO8 3.3 30.3 1.0 N B:VAL32 3.5 39.0 1.0 CA B:GLY7 3.5 29.7 1.0 N B:HIS9 3.5 49.8 1.0 C B:GLY7 3.5 31.1 1.0 N B:PRO8 3.5 32.3 1.0 CA B:PRO31 3.6 37.9 1.0 CE2 B:PHE10 3.7 52.1 1.0 CB B:HIS9 3.8 51.6 1.0 O B:VAL32 4.0 37.1 1.0 CG B:HIS9 4.0 54.4 1.0 O B:HOH2068 4.0 57.7 1.0 C B:PRO31 4.1 45.4 1.0 CD2 B:PHE10 4.1 48.9 1.0 ND1 B:HIS9 4.1 54.8 1.0 CG B:PRO8 4.1 33.5 1.0 CB B:PRO31 4.1 36.1 1.0 O B:GLY7 4.2 33.9 1.0 CA B:HIS9 4.2 52.2 0.9 N B:GLY7 4.4 36.4 1.0 C B:PRO8 4.5 47.9 1.0 CA B:PRO8 4.5 37.5 1.0 CA B:VAL32 4.5 37.1 1.0 C B:VAL32 4.6 41.3 1.0 CD2 B:HIS9 4.7 52.4 1.0 N B:PRO31 4.8 46.3 1.0 CZ B:PHE10 4.8 49.4 1.0 O B:ILE30 4.9 52.6 1.0 CE1 B:HIS9 4.9 52.0 1.0

M.A.Tossounian, K.Wahni, I.Van Molle, D.Vertommen, L.Astolfi Rosado, J.Messens. Redox-Regulated Methionine Oxidation of Arabidopsis Thaliana Glutathione Transferase PHI9 Induces H-Site Flexibility. Protein Sci. V. 28 56 2019.
ISSN: ESSN 1469-896X
PubMed: 29732642
DOI: 10.1002/PRO.3440