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Potassium in PDB 4xra: Salmonella Typhimurium Ahpc T43S Mutant

Enzymatic activity of Salmonella Typhimurium Ahpc T43S Mutant

All present enzymatic activity of Salmonella Typhimurium Ahpc T43S Mutant:
1.11.1.15;

Protein crystallography data

The structure of Salmonella Typhimurium Ahpc T43S Mutant, PDB code: 4xra was solved by A.Perkins, A.E.Brereton, 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) 36.28 / 1.75
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 127.069, 171.920, 135.290, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 20

Other elements in 4xra:

The structure of Salmonella Typhimurium Ahpc T43S Mutant also contains other interesting chemical elements:

Chlorine (Cl) 11 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Salmonella Typhimurium Ahpc T43S Mutant (pdb code 4xra). 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 T43S Mutant, PDB code: 4xra:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in 4xra

Go back to Potassium Binding Sites List in 4xra
Potassium binding site 1 out of 3 in the Salmonella Typhimurium Ahpc T43S 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 T43S Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K204

b:52.0
occ:0.50
O A:THR72 2.9 24.9 1.0
O A:HOH312 2.9 28.0 1.0
O A:HOH306 3.1 27.5 1.0
HA A:ASP73 3.6 30.9 1.0
HA A:PRO99 3.6 31.3 1.0
HB A:THR72 3.7 31.9 1.0
C A:THR72 3.8 23.7 1.0
HB3 A:PRO99 3.9 32.2 1.0
OG1 A:THR72 4.3 25.5 1.0
CB A:THR72 4.4 26.6 1.0
CA A:ASP73 4.4 25.8 1.0
N A:ASP73 4.4 25.6 1.0
HG1 A:THR72 4.4 30.6 1.0
CA A:PRO99 4.5 26.1 1.0
CB A:PRO99 4.6 26.9 1.0
O A:PRO99 4.8 26.5 1.0
CA A:THR72 4.8 25.0 1.0
HB2 A:PRO99 4.8 32.2 1.0
O A:HOH301 4.9 29.5 1.0
HG23 A:THR74 5.0 29.0 1.0

Potassium binding site 2 out of 3 in 4xra

Go back to Potassium Binding Sites List in 4xra
Potassium binding site 2 out of 3 in the Salmonella Typhimurium Ahpc T43S 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 T43S Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K203

b:52.2
occ:1.00
O C:THR72 2.8 26.8 1.0
O B:THR72 2.9 24.8 1.0
O B:HOH345 2.9 27.7 1.0
O C:HOH319 2.9 27.7 1.0
O B:HOH351 3.1 29.5 1.0
O C:HOH322 3.1 28.4 1.0
HA C:PRO99 3.5 28.4 1.0
HA B:PRO99 3.5 31.4 1.0
HA C:ASP73 3.6 32.2 1.0
HA B:ASP73 3.6 27.6 1.0
C C:THR72 3.7 27.5 1.0
HB3 C:PRO99 3.7 29.1 1.0
HB C:THR72 3.8 29.6 1.0
HB B:THR72 3.8 24.8 1.0
HB3 B:PRO99 3.8 33.8 1.0
C B:THR72 3.8 25.7 1.0
OG1 C:THR72 4.3 25.3 1.0
CA C:PRO99 4.3 23.7 1.0
CB C:PRO99 4.3 24.2 1.0
CA B:PRO99 4.4 26.1 1.0
CA C:ASP73 4.4 26.9 1.0
CA B:ASP73 4.4 23.0 1.0
CB C:THR72 4.4 24.6 1.0
OG1 B:THR72 4.4 22.9 1.0
N C:ASP73 4.4 24.4 1.0
HG1 C:THR72 4.4 30.3 1.0
N B:ASP73 4.4 25.1 1.0
CB B:THR72 4.4 20.6 1.0
CB B:PRO99 4.5 28.2 1.0
HB2 C:PRO99 4.5 29.1 1.0
HG1 B:THR72 4.5 27.4 1.0
HB2 B:PRO99 4.7 33.8 1.0
CA C:THR72 4.7 24.7 1.0
O C:PRO99 4.8 24.8 1.0
O B:PRO99 4.8 24.8 1.0
CA B:THR72 4.8 24.1 1.0
HG23 C:THR74 4.9 31.1 1.0
O B:HOH343 4.9 30.0 1.0
HG23 B:THR74 4.9 30.4 1.0
O C:HOH317 4.9 28.9 1.0

Potassium binding site 3 out of 3 in 4xra

Go back to Potassium Binding Sites List in 4xra
Potassium binding site 3 out of 3 in the Salmonella Typhimurium Ahpc T43S 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 T43S Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K203

b:60.4
occ:1.00
O E:THR72 2.8 31.4 1.0
O D:THR72 2.8 30.2 1.0
O E:HOH337 2.9 34.4 1.0
O D:HOH336 2.9 33.9 1.0
O E:HOH336 3.0 35.1 1.0
O D:HOH418 3.1 35.5 1.0
HA E:PRO99 3.5 38.1 1.0
HA E:ASP73 3.5 39.2 1.0
HA D:ASP73 3.5 37.6 1.0
HA D:PRO99 3.6 36.9 1.0
C E:THR72 3.8 33.3 1.0
HB D:THR72 3.8 35.5 1.0
C D:THR72 3.8 31.7 1.0
HB3 D:PRO99 3.8 34.1 1.0
HB3 E:PRO99 3.8 39.4 1.0
HB E:THR72 3.9 36.8 1.0
OG1 E:THR72 4.3 29.3 1.0
OG1 D:THR72 4.3 31.5 1.0
CA E:ASP73 4.3 32.7 1.0
CA E:PRO99 4.3 31.8 1.0
CA D:ASP73 4.4 31.4 1.0
N D:ASP73 4.4 30.8 1.0
N E:ASP73 4.4 30.9 1.0
CB D:THR72 4.4 29.6 1.0
CA D:PRO99 4.4 30.8 1.0
HG1 D:THR72 4.4 37.8 1.0
HG1 E:THR72 4.4 35.2 1.0
CB D:PRO99 4.5 28.4 1.0
CB E:PRO99 4.5 32.8 1.0
CB E:THR72 4.5 30.7 1.0
HB2 D:PRO99 4.7 34.1 1.0
HB2 E:PRO99 4.7 39.4 1.0
CA E:THR72 4.8 30.0 1.0
CA D:THR72 4.8 29.9 1.0
O E:PRO99 4.8 32.6 1.0
O D:PRO99 4.8 31.5 1.0
HG23 E:THR74 4.8 39.7 1.0
O D:HOH333 4.9 39.5 1.0
HG23 D:THR74 4.9 39.0 1.0
O E:HOH332 4.9 35.9 1.0
C E:ASP73 5.0 37.1 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: Mon Aug 12 12:38:24 2024

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