Chlorine in PDB 8a0r: Crystal Structure of Poplar Glutathione Transferase U20 in Complex with Pinocembrin

All present enzymatic activity of Crystal Structure of Poplar Glutathione Transferase U20 in Complex with Pinocembrin:
2.5.1.18;

The structure of Crystal Structure of Poplar Glutathione Transferase U20 in Complex with Pinocembrin, PDB code: 8a0r was solved by C.Didierjean, F.Favier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.28 / 1.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	56.338, 56.338, 182.615, 90, 90, 90
R / Rfree (%)	21.4 / 23.1

The binding sites of Chlorine atom in the Crystal Structure of Poplar Glutathione Transferase U20 in Complex with Pinocembrin (pdb code 8a0r). 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 Crystal Structure of Poplar Glutathione Transferase U20 in Complex with Pinocembrin, PDB code: 8a0r:

Chlorine binding site 1 out of 1 in the Crystal Structure of Poplar Glutathione Transferase U20 in Complex with Pinocembrin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Poplar Glutathione Transferase U20 in Complex with Pinocembrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:38.2 occ:1.00 O A:HOH458 2.9 71.6 1.0 N A:SER66 3.1 21.5 1.0 O A:HOH424 3.4 28.1 1.0 OG A:SER66 3.5 22.8 1.0 CB A:SER66 3.6 21.0 1.0 CD A:PRO54 3.7 24.6 1.0 CB A:PHE14 3.8 22.1 1.0 CA A:GLU65 3.9 22.4 1.0 CA A:SER66 3.9 20.7 1.0 C A:GLU65 4.0 22.2 1.0 CG A:PHE14 4.1 24.0 1.0 O A:HOH555 4.2 29.4 1.0 OE1 A:GLU65 4.2 39.3 1.0 CG A:PRO54 4.3 25.1 1.0 CD A:GLU65 4.4 38.1 1.0 O A:ILE53 4.4 27.9 1.0 OE2 A:GLU65 4.5 40.3 1.0 CD1 A:PHE14 4.6 26.3 1.0 O A:HOH626 4.7 69.1 1.0 N A:PRO54 4.7 25.4 1.0 N A:GLU65 4.7 23.0 1.0 CD2 A:PHE14 4.8 26.0 1.0 CB A:GLU65 4.9 24.8 1.0 C A:ILE53 5.0 27.8 1.0

E.Sylvestre-Gonon, L.Morette, M.Viloria, S.Mathiot, A.Boutilliat, F.Favier, N.Rouhier, C.Didierjean, A.Hecker. Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids. Front Mol Biosci V. 9 58586 2022.
ISSN: ESSN 2296-889X
PubMed: 36032685
DOI: 10.3389/FMOLB.2022.958586