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Potassium in PDB 4ma9: Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation

Enzymatic activity of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation

All present enzymatic activity of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation:
1.11.1.15;

Protein crystallography data

The structure of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation, PDB code: 4ma9 was solved by A.Perkins, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.76 / 1.82
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 126.840, 171.150, 135.320, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 24

Other elements in 4ma9:

The structure of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation (pdb code 4ma9). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation, PDB code: 4ma9:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in 4ma9

Go back to Potassium Binding Sites List in 4ma9
Potassium binding site 1 out of 3 in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K202

b:59.9
occ:0.50
O A:THR72 2.7 28.4 1.0
O A:HOH1064 2.8 33.8 1.0
O A:HOH1087 3.0 42.8 1.0
HA A:ASP73 3.5 30.9 1.0
HA A:PRO99 3.5 25.8 1.0
HB A:THR72 3.6 29.7 1.0
C A:THR72 3.7 31.0 1.0
HB3 A:PRO99 3.9 29.9 1.0
OG1 A:THR72 4.3 31.6 1.0
HG1 A:THR72 4.3 31.3 1.0
CB A:THR72 4.3 29.5 1.0
CA A:ASP73 4.4 30.1 1.0
N A:ASP73 4.4 30.2 1.0
CA A:PRO99 4.5 26.8 1.0
CB A:PRO99 4.6 29.9 1.0
CA A:THR72 4.7 29.2 1.0
O A:PRO99 4.8 26.3 1.0
O A:HOH1148 4.9 42.9 1.0
HB2 A:PRO99 4.9 32.7 1.0

Potassium binding site 2 out of 3 in 4ma9

Go back to Potassium Binding Sites List in 4ma9
Potassium binding site 2 out of 3 in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K202

b:57.9
occ:1.00
O B:HOH1014 2.5 29.6 1.0
O C:HOH1047 2.6 32.5 1.0
O C:THR72 2.7 28.4 1.0
O B:THR72 2.9 25.5 1.0
O C:HOH1234 3.0 42.1 1.0
O B:HOH1279 3.1 45.4 1.0
HA C:PRO99 3.3 25.6 1.0
HB C:THR72 3.4 30.0 1.0
HA B:PRO99 3.5 21.9 1.0
HA C:ASP73 3.7 30.3 1.0
HB B:THR72 3.7 23.8 1.0
C C:THR72 3.7 28.6 1.0
HA B:ASP73 3.8 28.9 1.0
HG1 C:THR72 3.8 31.6 1.0
C B:THR72 3.9 29.7 1.0
HB3 C:PRO99 3.9 26.6 1.0
HG1 B:THR72 3.9 27.7 1.0
HB3 B:PRO99 4.1 24.1 1.0
CB C:THR72 4.2 30.7 1.0
OG1 C:THR72 4.3 30.1 1.0
CA C:PRO99 4.3 27.2 1.0
CA B:PRO99 4.4 25.0 1.0
N C:ASP73 4.4 29.4 1.0
CB B:THR72 4.5 25.3 1.0
O C:PRO99 4.5 28.0 1.0
OG1 B:THR72 4.5 28.0 1.0
O B:PRO99 4.5 29.0 1.0
CB C:PRO99 4.5 27.8 1.0
CA C:ASP73 4.5 29.2 1.0
CA C:THR72 4.6 26.4 1.0
CB B:PRO99 4.6 26.3 1.0
N B:ASP73 4.6 29.8 1.0
CA B:ASP73 4.6 29.2 1.0
HB2 C:PRO99 4.7 25.6 1.0
HB2 B:PRO99 4.7 28.2 1.0
CA B:THR72 4.8 27.6 1.0
C C:PRO99 4.9 28.7 1.0
O C:GLY115 5.0 30.1 1.0
C B:PRO99 5.0 30.2 1.0

Potassium binding site 3 out of 3 in 4ma9

Go back to Potassium Binding Sites List in 4ma9
Potassium binding site 3 out of 3 in the Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Wild Type Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate- Ready Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K202

b:71.6
occ:1.00
O E:HOH1106 2.6 39.7 1.0
O D:HOH1373 2.7 55.6 1.0
O D:THR72 2.8 39.5 1.0
O E:THR72 2.8 44.8 1.0
O E:HOH1261 3.0 52.6 1.0
O D:HOH1195 3.0 50.8 1.0
HA E:PRO99 3.4 40.2 1.0
HA D:PRO99 3.4 40.8 1.0
HB D:THR72 3.5 38.5 1.0
HA E:ASP73 3.6 46.6 1.0
HA D:ASP73 3.6 41.9 1.0
C D:THR72 3.7 40.6 1.0
HB E:THR72 3.7 45.3 1.0
C E:THR72 3.7 46.1 1.0
HB3 D:PRO99 3.8 42.3 1.0
HB3 E:PRO99 3.8 42.8 1.0
HG1 D:THR72 4.1 45.2 1.0
HG1 E:THR72 4.1 44.1 1.0
CB D:THR72 4.3 38.7 1.0
OG1 D:THR72 4.3 44.2 1.0
OG1 E:THR72 4.3 44.7 1.0
CA E:PRO99 4.3 41.6 1.0
CA D:PRO99 4.4 41.2 1.0
N D:ASP73 4.4 40.2 1.0
CB D:PRO99 4.4 43.0 1.0
CB E:THR72 4.4 46.4 1.0
CB E:PRO99 4.5 43.0 1.0
CA D:ASP73 4.5 41.1 1.0
N E:ASP73 4.5 44.6 1.0
CA E:ASP73 4.5 46.0 1.0
HB2 D:PRO99 4.5 43.1 1.0
CA D:THR72 4.6 36.6 1.0
O E:PRO99 4.6 42.1 1.0
HB2 E:PRO99 4.7 42.8 1.0
CA E:THR72 4.7 41.0 1.0
O D:PRO99 4.7 43.4 1.0
HG23 D:THR74 5.0 45.8 1.0

Reference:

A.Perkins, K.J.Nelson, J.R.Williams, D.Parsonage, L.B.Poole, P.A.Karplus. The Sensitive Balance Between the Fully Folded and Locally Unfolded Conformations of A Model Peroxiredoxin. Biochemistry V. 52 8708 2013.
ISSN: ISSN 0006-2960
PubMed: 24175952
DOI: 10.1021/BI4011573
Page generated: Sun Dec 13 23:44:46 2020

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