Sodium in PDB 9glf: Anthraquinone Pigment Production Regulated By Cinnamic Acid

The structure of Anthraquinone Pigment Production Regulated By Cinnamic Acid, PDB code: 9glf was solved by L.Su, M.Schmalhofer, G.L.C.Grammbitter, N.Paczia, T.Glatter, M.Groll, H.B.Bode, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	54.38, 154.46, 91.06, 90, 90, 90
R / Rfree (%)	14.7 / 18.1

The binding sites of Sodium atom in the Anthraquinone Pigment Production Regulated By Cinnamic Acid (pdb code 9glf). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Anthraquinone Pigment Production Regulated By Cinnamic Acid, PDB code: 9glf:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Anthraquinone Pigment Production Regulated By Cinnamic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Anthraquinone Pigment Production Regulated By Cinnamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Na402 b:32.1 occ:1.00 O A:HOH719 2.4 40.4 1.0 O A:ILE234 2.4 28.3 1.0 O A:ASP231 2.4 28.7 1.0 O A:LEU228 2.5 28.5 1.0 O A:HOH508 2.6 48.4 1.0 O A:GLU229 2.9 34.4 1.0 C A:GLU229 3.3 28.9 1.0 C A:ASP231 3.4 27.2 1.0 C A:ILE234 3.6 27.5 1.0 C A:LEU228 3.6 26.5 1.0 CA A:GLU229 3.7 28.3 1.0 N A:ASP231 3.8 28.2 1.0 N A:GLU229 4.1 27.8 1.0 CA A:ASP231 4.2 30.0 1.0 N A:ASP230 4.2 30.2 1.0 CB A:ILE234 4.2 24.7 1.0 OG A:SER236 4.2 32.7 1.0 CA A:ILE234 4.2 25.5 1.0 N A:SER236 4.2 29.9 1.0 O A:HOH717 4.3 50.9 1.0 N A:ILE234 4.3 24.9 1.0 CB A:SER236 4.3 32.6 1.0 N A:ALA232 4.3 28.3 1.0 C A:ASP230 4.4 30.8 1.0 CA A:ALA232 4.6 28.9 1.0 N A:ASN235 4.6 26.6 1.0 CB A:ASP231 4.8 28.0 1.0 CG2 A:ILE234 4.8 24.5 1.0 C A:ALA232 4.8 28.3 1.0 CA A:ASP230 4.8 33.6 1.0 CA A:LEU228 4.8 26.4 1.0 CA A:ASN235 4.9 26.9 1.0 CA A:SER236 4.9 30.9 1.0 C A:ASN235 4.9 28.6 1.0

Sodium binding site 2 out of 2 in the Anthraquinone Pigment Production Regulated By Cinnamic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Anthraquinone Pigment Production Regulated By Cinnamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Na403 b:48.3 occ:1.00 OD2 A:ASP370 2.5 28.8 1.0 O A:HOH749 2.5 35.9 1.0 CG A:ASP370 3.5 24.4 1.0 CB A:ASP370 3.6 23.2 1.0 CG2 A:ILE366 4.1 22.8 1.0 O A:ILE366 4.2 22.2 1.0 O A:HOH620 4.3 36.0 1.0 CA A:GLN367 4.3 22.4 1.0 C A:ILE366 4.6 20.0 1.0 OD1 A:ASP370 4.7 28.6 1.0 N A:GLN367 4.7 19.7 1.0

L.Su, M.Schmalhofer, G.L.C.Grammbitter, N.Paczia, T.Glatter, M.Groll, H.B.Bode. The Isopropylstilbene Precursor Cinnamic Acid Inhibits Anthraquinone Pigment Production By Targeting Anti. J.Am.Chem.Soc. V. 147 20246 2025.
ISSN: ESSN 1520-5126
PubMed: 40474393
DOI: 10.1021/JACS.5C07388