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Potassium in PDB 4xrd: Salmonella Typhimurium Ahpc W169F Mutant

Enzymatic activity of Salmonella Typhimurium Ahpc W169F Mutant

All present enzymatic activity of Salmonella Typhimurium Ahpc W169F Mutant:
1.11.1.15;

Protein crystallography data

The structure of Salmonella Typhimurium Ahpc W169F Mutant, PDB code: 4xrd 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) 24.71 / 2.30
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 125.870, 171.200, 135.630, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 23.9

Other elements in 4xrd:

The structure of Salmonella Typhimurium Ahpc W169F Mutant also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Salmonella Typhimurium Ahpc W169F Mutant (pdb code 4xrd). 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 W169F Mutant, PDB code: 4xrd:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in 4xrd

Go back to Potassium Binding Sites List in 4xrd
Potassium binding site 1 out of 3 in the Salmonella Typhimurium Ahpc W169F 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 W169F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K202

b:67.7
occ:0.50
O A:THR72 3.2 37.4 1.0
O A:PRO99 3.4 53.0 1.0
CA A:PRO99 3.6 36.8 1.0
CB A:PRO99 3.6 41.6 1.0
O A:HOH311 3.7 57.7 1.0
C A:PRO99 4.0 47.1 1.0
O A:HOH310 4.3 47.9 1.0
C A:THR72 4.3 38.1 1.0
CB A:THR72 4.7 41.5 1.0
N A:PRO99 4.8 41.7 1.0

Potassium binding site 2 out of 3 in 4xrd

Go back to Potassium Binding Sites List in 4xrd
Potassium binding site 2 out of 3 in the Salmonella Typhimurium Ahpc W169F 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 W169F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K202

b:75.2
occ:1.00
O C:THR72 2.6 36.6 1.0
O B:HOH391 2.6 46.0 1.0
O C:HOH375 2.8 42.1 1.0
O C:HOH344 2.9 45.1 1.0
O B:HOH351 2.9 41.8 1.0
O B:THR72 2.9 32.4 1.0
C C:THR72 3.6 33.5 1.0
C B:THR72 3.8 29.6 1.0
OG1 C:THR72 4.2 34.8 1.0
CA C:ASP73 4.2 37.2 1.0
N C:ASP73 4.2 32.4 1.0
CB C:THR72 4.4 35.2 1.0
CA B:ASP73 4.4 31.1 1.0
N B:ASP73 4.4 29.9 1.0
CA C:PRO99 4.4 33.2 1.0
O B:HOH331 4.4 71.2 1.0
CB B:THR72 4.5 32.6 1.0
OG1 B:THR72 4.5 38.1 1.0
CA B:PRO99 4.5 39.0 1.0
CB C:PRO99 4.6 34.9 1.0
CA C:THR72 4.6 32.0 1.0
CB B:PRO99 4.6 41.1 1.0
O C:PRO99 4.7 34.0 1.0
CA B:THR72 4.8 31.0 1.0
O B:PRO99 4.9 40.9 1.0
C C:ASP73 4.9 39.3 1.0

Potassium binding site 3 out of 3 in 4xrd

Go back to Potassium Binding Sites List in 4xrd
Potassium binding site 3 out of 3 in the Salmonella Typhimurium Ahpc W169F 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 W169F Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K202

b:0.7
occ:1.00
O E:HOH318 2.7 52.1 1.0
O E:HOH319 2.8 92.3 1.0
O E:THR72 2.8 60.0 1.0
O D:HOH337 2.9 55.9 1.0
O D:HOH363 2.9 60.8 1.0
O D:THR72 3.0 50.5 1.0
C E:THR72 3.6 57.2 1.0
C D:THR72 3.8 46.2 1.0
CA D:ASP73 4.0 50.0 1.0
CA E:ASP73 4.0 60.0 1.0
N E:ASP73 4.1 57.7 1.0
N D:ASP73 4.2 47.1 1.0
OG1 E:THR72 4.4 60.0 1.0
OG1 D:THR72 4.4 49.7 1.0
CB E:THR72 4.5 54.5 1.0
CB D:PRO99 4.5 47.9 1.0
OD1 D:ASP73 4.5 65.9 1.0
OD1 E:ASP73 4.6 67.7 1.0
C D:ASP73 4.7 54.4 1.0
CA E:THR72 4.7 56.3 1.0
CA D:PRO99 4.7 50.0 1.0
CA E:PRO99 4.7 49.2 1.0
C E:ASP73 4.8 61.1 1.0
CB D:THR72 4.8 50.4 1.0
CB E:PRO99 4.8 47.1 1.0
CA D:THR72 4.9 43.3 1.0
N D:THR74 5.0 53.4 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 23:52:05 2020

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