Potassium in PDB 4xs6: Salmonella Typhimurium Ahpc W81F Mutant

All present enzymatic activity of Salmonella Typhimurium Ahpc W81F Mutant:
1.11.1.15;

The structure of Salmonella Typhimurium Ahpc W81F Mutant, PDB code: 4xs6 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)	71.89 / 3.35
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	125.470, 169.920, 134.890, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 27.9

The binding sites of Potassium atom in the Salmonella Typhimurium Ahpc W81F Mutant (pdb code 4xs6). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Salmonella Typhimurium Ahpc W81F Mutant, PDB code: 4xs6:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Salmonella Typhimurium Ahpc W81F 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 W81F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:K201 b:48.3 occ:0.50 O A:THR72 3.1 55.3 1.0 CA A:PRO99 4.1 52.7 1.0 CB A:PRO99 4.2 55.9 1.0 C A:THR72 4.2 54.1 1.0 CA A:ASP73 4.3 55.8 1.0 CG2 A:THR74 4.5 55.5 1.0 O A:PRO99 4.6 51.3 1.0 C A:ASP73 4.7 54.5 1.0 N A:THR74 4.7 55.7 1.0 N A:ASP73 4.8 54.3 1.0 C A:PRO99 4.9 50.3 1.0

Potassium binding site 2 out of 4 in the Salmonella Typhimurium Ahpc W81F 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 W81F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:K201 b:83.3 occ:1.00 O C:THR72 2.7 54.4 1.0 O B:THR72 2.9 54.9 1.0 C C:THR72 3.7 54.7 1.0 OG1 C:THR72 3.8 88.4 1.0 C B:THR72 3.9 52.5 1.0 O C:PRO99 4.0 54.2 1.0 CB C:THR72 4.0 86.8 1.0 CA C:PRO99 4.1 53.5 1.0 O B:PRO99 4.3 51.7 1.0 CA B:PRO99 4.3 53.1 1.0 OG1 B:THR72 4.3 42.9 1.0 CB B:THR72 4.3 42.6 1.0 CA C:THR72 4.5 53.6 1.0 CA B:ASP73 4.5 56.3 1.0 N C:ASP73 4.6 56.8 1.0 C C:PRO99 4.6 53.0 1.0 CA C:ASP73 4.6 56.4 1.0 N B:ASP73 4.6 53.2 1.0 CB C:PRO99 4.6 53.9 1.0 CB B:PRO99 4.7 56.3 1.0 CA B:THR72 4.8 49.7 1.0 C B:PRO99 4.9 51.6 1.0 OD1 B:ASP73 4.9 60.8 1.0

Potassium binding site 3 out of 4 in the Salmonella Typhimurium Ahpc W81F 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 W81F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:K202 b:71.3 occ:1.00 O B:LEU63 3.4 76.3 1.0 OE1 B:GLN155 3.8 75.7 1.0 CD B:GLN155 4.1 72.3 1.0 NE2 B:GLN155 4.2 71.0 1.0 C B:LEU63 4.3 78.5 1.0

Potassium binding site 4 out of 4 in the Salmonella Typhimurium Ahpc W81F Mutant


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Salmonella Typhimurium Ahpc W81F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:K201 b:0.0 occ:1.00 O D:THR72 2.6 94.8 1.0 O E:THR72 2.8 91.6 1.0 C D:THR72 3.5 93.1 1.0 O E:PRO99 3.7 90.1 1.0 CB D:THR72 3.7 93.5 1.0 OG1 D:THR72 3.8 96.2 1.0 C E:THR72 3.9 92.0 1.0 CA E:PRO99 3.9 90.2 1.0 O D:PRO99 4.1 73.0 1.0 CA D:THR72 4.2 91.7 1.0 CB E:THR72 4.3 89.2 1.0 C E:PRO99 4.3 89.0 1.0 CA D:PRO99 4.3 74.2 1.0 CB E:PRO99 4.4 91.5 1.0 N D:ASP73 4.4 93.1 1.0 OG1 E:THR72 4.4 90.6 1.0 CA D:ASP73 4.6 92.9 1.0 CA E:THR72 4.7 90.2 1.0 CB D:PRO99 4.7 76.2 1.0 C D:PRO99 4.7 73.0 1.0 CA E:ASP73 4.8 96.3 1.0 N E:ASP73 4.8 94.1 1.0 O D:GLY115 4.8 75.5 1.0 CG2 D:THR72 4.9 92.7 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