Potassium in PDB 3qj5: S-Nitrosoglutathione Reductase (Gsnor) in Complex with N6022

All present enzymatic activity of S-Nitrosoglutathione Reductase (Gsnor) in Complex with N6022:
1.1.1.1; 1.1.1.284;

The structure of S-Nitrosoglutathione Reductase (Gsnor) in Complex with N6022, PDB code: 3qj5 was solved by L.Chun, H.Kim, X.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.09 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.858, 78.858, 310.078, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 21

The structure of S-Nitrosoglutathione Reductase (Gsnor) in Complex with N6022 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Potassium atom in the S-Nitrosoglutathione Reductase (Gsnor) in Complex with N6022 (pdb code 3qj5). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the S-Nitrosoglutathione Reductase (Gsnor) in Complex with N6022, PDB code: 3qj5:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the S-Nitrosoglutathione Reductase (Gsnor) in Complex with N6022


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of S-Nitrosoglutathione Reductase (Gsnor) in Complex with N6022 within 5.0Å range: probe atom residue distance (Å) B Occ A:K602 b:26.3 occ:1.00 O A:HOH581 2.8 22.0 1.0 O A:HOH691 2.8 41.4 1.0 OH A:TYR263 2.9 16.0 1.0 O A:LYS187 3.0 18.3 1.0 O A:ALA186 3.0 19.1 1.0 OE2 A:GLU189 3.0 17.9 1.0 CD A:GLU189 3.8 18.5 1.0 C A:LYS187 3.8 18.6 1.0 CZ A:TYR263 3.9 15.9 1.0 O A:HOH389 4.0 16.9 1.0 OE1 A:GLU189 4.1 17.2 1.0 CB A:LYS187 4.1 19.5 1.0 C A:ALA186 4.2 19.1 1.0 CE2 A:TYR263 4.3 16.1 1.0 NZ B:LYS106 4.3 13.5 1.0 O3 A:TRS380 4.4 49.8 1.0 O B:HOH566 4.4 16.4 1.0 CA A:LYS187 4.4 19.2 1.0 O A:HOH615 4.5 32.5 1.0 N A:LEU188 4.6 18.2 1.0 O A:HOH653 4.6 30.2 1.0 CA A:LEU188 4.7 18.4 1.0 O A:HOH731 4.7 43.7 1.0 O A:HOH465 4.8 37.0 1.0 N A:LYS187 4.8 19.1 1.0 CG A:GLU189 4.9 18.2 1.0

Potassium binding site 2 out of 2 in the S-Nitrosoglutathione Reductase (Gsnor) in Complex with N6022


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of S-Nitrosoglutathione Reductase (Gsnor) in Complex with N6022 within 5.0Å range: probe atom residue distance (Å) B Occ B:K501 b:27.4 occ:1.00 O A:HOH626 2.9 21.2 1.0 O B:LYS187 2.9 20.0 1.0 OH B:TYR263 2.9 16.8 1.0 O B:ALA186 3.0 18.2 1.0 O A:HOH456 3.1 37.7 1.0 OE2 B:GLU189 3.1 22.5 1.0 C B:LYS187 3.7 19.7 1.0 CD B:GLU189 3.9 21.7 1.0 O B:HOH488 3.9 17.9 1.0 CZ B:TYR263 3.9 16.8 1.0 CB B:LYS187 4.1 20.2 1.0 C B:ALA186 4.1 18.8 1.0 OE1 B:GLU189 4.2 20.7 1.0 CE2 B:TYR263 4.3 16.9 1.0 NZ A:LYS106 4.3 16.8 1.0 O A:HOH569 4.3 19.1 1.0 O B:HOH674 4.4 27.5 1.0 CA B:LYS187 4.4 19.7 1.0 N B:LEU188 4.6 19.5 1.0 CA B:LEU188 4.7 19.5 1.0 N B:LYS187 4.7 19.1 1.0 O2 A:TRS380 4.8 49.5 1.0 CG B:GLU189 5.0 21.0 1.0

X.Sun, J.W.Wasley, J.Qiu, J.P.Blonder, A.M.Stout, L.S.Green, S.A.Strong, D.B.Colagiovanni, J.P.Richards, S.C.Mutka, L.Chun, G.J.Rosenthal. Discovery of S-Nitrosoglutathione Reductase Inhibitors: Potential Agents For the Treatment of Asthma and Other Inflammatory Diseases. Acs Med Chem Lett V. 2 402 2011.
ISSN: ISSN 1948-5875
PubMed: 24900320
DOI: 10.1021/ML200045S