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Potassium in PDB 4xs6: Salmonella Typhimurium Ahpc W81F Mutant

Enzymatic activity of Salmonella Typhimurium Ahpc W81F Mutant

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

Protein crystallography data

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

Potassium Binding Sites:

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 4xs6

Go back to Potassium Binding Sites List in 4xs6
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 4xs6

Go back to Potassium Binding Sites List in 4xs6
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 4xs6

Go back to Potassium Binding Sites List in 4xs6
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 4xs6

Go back to Potassium Binding Sites List in 4xs6
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

Reference:

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
Page generated: Sun Dec 13 23:52:12 2020

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