Potassium in PDB 4xs4: Salmonella Typhimurium Ahpc C165S Mutant

All present enzymatic activity of Salmonella Typhimurium Ahpc C165S Mutant:
1.11.1.15;

The structure of Salmonella Typhimurium Ahpc C165S Mutant, PDB code: 4xs4 was solved by A.Perkins, K.Nelson, D.Parsonage, L.Poole, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.11 / 2.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	127.045, 172.100, 136.210, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 24.5

The binding sites of Potassium atom in the Salmonella Typhimurium Ahpc C165S Mutant (pdb code 4xs4). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Salmonella Typhimurium Ahpc C165S Mutant, PDB code: 4xs4:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Salmonella Typhimurium Ahpc C165S Mutant


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Salmonella Typhimurium Ahpc C165S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:K201 b:52.5 occ:0.50 O A:HOH304 3.0 31.5 1.0 O A:THR72 3.2 42.3 1.0 CB A:PRO99 4.0 37.3 1.0 CA A:ASP73 4.2 34.2 1.0 C A:THR72 4.3 36.1 1.0 CG2 A:THR74 4.3 41.5 1.0 CA A:PRO99 4.4 28.7 1.0 N A:THR74 4.4 39.1 1.0 C A:ASP73 4.5 39.0 1.0 N A:ASP73 4.7 30.7 1.0 O A:HOH301 4.7 50.1 1.0

Potassium binding site 2 out of 3 in the Salmonella Typhimurium Ahpc C165S Mutant


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Salmonella Typhimurium Ahpc C165S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:K201 b:73.4 occ:1.00 O C:THR72 2.8 34.0 1.0 O B:HOH326 2.8 40.0 1.0 O B:HOH330 2.8 27.8 1.0 O C:HOH220 2.9 44.2 1.0 O B:THR72 3.0 30.2 1.0 O C:HOH217 3.1 33.7 1.0 C C:THR72 3.7 31.8 1.0 C B:THR72 3.8 26.0 1.0 CA C:ASP73 4.2 32.7 1.0 N C:ASP73 4.3 33.7 1.0 CA B:ASP73 4.3 23.8 1.0 N B:ASP73 4.3 22.6 1.0 O B:HOH325 4.4 42.7 1.0 OG1 B:THR72 4.4 35.4 1.0 CA C:PRO99 4.5 24.2 1.0 OG1 C:THR72 4.5 25.3 1.0 CB B:THR72 4.5 21.9 1.0 CB C:PRO99 4.5 24.3 1.0 CB C:THR72 4.5 28.4 1.0 O C:HOH215 4.6 35.9 1.0 CA C:THR72 4.7 25.6 1.0 O C:PRO99 4.7 25.0 1.0 CA B:PRO99 4.8 25.1 1.0 CA B:THR72 4.8 21.4 1.0 CB B:PRO99 4.8 26.5 1.0 C C:ASP73 4.9 39.2 1.0 OD1 B:ASP73 5.0 49.4 1.0

Potassium binding site 3 out of 3 in the Salmonella Typhimurium Ahpc C165S Mutant


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Salmonella Typhimurium Ahpc C165S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:K201 b:0.1 occ:1.00 O E:HOH203 2.8 54.6 1.0 O D:THR72 2.8 57.7 1.0 O E:THR72 2.9 53.8 1.0 O D:HOH363 2.9 52.9 1.0 O E:HOH206 3.0 48.1 1.0 O D:HOH316 3.1 46.0 1.0 C D:THR72 3.6 51.6 1.0 C E:THR72 3.7 49.8 1.0 CA D:ASP73 3.8 54.3 1.0 CA E:ASP73 3.8 52.5 1.0 N D:ASP73 4.0 48.6 1.0 N E:ASP73 4.0 48.9 1.0 O D:HOH314 4.2 63.1 1.0 OD1 E:ASP73 4.4 76.3 1.0 OG1 E:THR72 4.5 50.7 1.0 OG1 D:THR72 4.5 40.6 1.0 OD1 D:ASP73 4.5 67.5 1.0 C D:ASP73 4.5 55.6 1.0 C E:ASP73 4.6 52.0 1.0 CB E:THR72 4.7 47.4 1.0 CB D:THR72 4.7 40.8 1.0 N D:THR74 4.8 56.0 1.0 CB E:ASP73 4.8 64.4 1.0 CA D:THR72 4.8 48.0 1.0 CA E:THR72 4.8 48.0 1.0 CB D:ASP73 4.8 60.0 1.0 N E:THR74 4.9 50.2 1.0 CB D:PRO99 4.9 49.8 1.0 CG E:ASP73 4.9 73.3 1.0 CA E:PRO99 4.9 46.9 1.0 CA D:PRO99 5.0 45.2 1.0 CB E:PRO99 5.0 49.2 1.0

K.J.Nelson, A.Perkins, A.E.D.Van Swearingen, S.Hartman, A.E.Brereton, D.Parsonage, F.R.Salsbury Jr., P.A.Karplus, L.B.Poole. Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal. V. 28 521 2018.
ISSN: ESSN 1557-7716
PubMed: 28375740
DOI: 10.1089/ARS.2016.6922