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Potassium in PDB 4mab: Resolving Cys to Ala Variant of Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate-Ready Conformation

Enzymatic activity of Resolving Cys to Ala Variant of Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate-Ready Conformation

All present enzymatic activity of Resolving Cys to Ala Variant of Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate-Ready Conformation:
1.11.1.15;

Protein crystallography data

The structure of Resolving Cys to Ala Variant of Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate-Ready Conformation, PDB code: 4mab was solved by A.Perkins, K.J.Nelson, J.R.Williams, L.B.Poole, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.15 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 127.230, 172.420, 136.210, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 23.9

Other elements in 4mab:

The structure of Resolving Cys to Ala Variant of Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate-Ready Conformation also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Potassium Binding Sites:

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

Potassium binding site 1 out of 3 in 4mab

Go back to Potassium Binding Sites List in 4mab
Potassium binding site 1 out of 3 in the Resolving Cys to Ala Variant of 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 Resolving Cys to Ala Variant of Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate-Ready Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K201

b:98.7
occ:0.50
O A:HOH1181 2.6 50.8 1.0
O A:HOH1182 2.7 61.3 1.0
O A:THR72 2.9 36.3 1.0
HB A:THR72 3.5 41.2 1.0
HA A:PRO99 3.6 32.2 1.0
C A:THR72 3.9 36.5 1.0
HA A:ASP73 4.0 34.7 1.0
HB3 A:PRO99 4.2 40.3 1.0
CB A:THR72 4.2 36.9 1.0
OG1 A:THR72 4.2 37.7 1.0
HG1 A:THR72 4.3 46.6 1.0
O A:PRO99 4.5 36.4 1.0
CA A:PRO99 4.5 34.1 1.0
CB A:PRO99 4.7 35.5 1.0
N A:ASP73 4.7 40.8 1.0
CA A:THR72 4.7 35.0 1.0
CA A:ASP73 4.8 40.1 1.0
HB2 A:PRO99 4.9 40.3 1.0
C A:PRO99 5.0 36.5 1.0

Potassium binding site 2 out of 3 in 4mab

Go back to Potassium Binding Sites List in 4mab
Potassium binding site 2 out of 3 in the Resolving Cys to Ala Variant of 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 Resolving Cys to Ala Variant of Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate-Ready Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K201

b:79.8
occ:1.00
O B:HOH1006 2.7 38.2 1.0
O C:THR72 2.7 34.1 1.0
O C:HOH1017 2.8 42.1 1.0
O B:THR72 2.9 33.9 1.0
O B:HOH1039 3.0 49.3 1.0
O C:HOH1067 3.1 52.5 1.0
HA C:ASP73 3.6 43.5 1.0
HA C:PRO99 3.6 43.0 1.0
HB C:THR72 3.6 36.5 1.0
HA B:PRO99 3.7 37.8 1.0
HA B:ASP73 3.7 27.8 1.0
C C:THR72 3.7 35.7 1.0
HB B:THR72 3.7 37.6 1.0
C B:THR72 3.9 35.5 1.0
HB3 B:PRO99 4.0 39.4 1.0
HB3 C:PRO99 4.0 37.2 1.0
CB C:THR72 4.3 32.6 1.0
N C:ASP73 4.4 41.1 1.0
OG1 C:THR72 4.4 33.7 1.0
CA C:ASP73 4.4 42.7 1.0
CB B:THR72 4.4 32.5 1.0
OG1 B:THR72 4.4 33.2 1.0
CA C:PRO99 4.5 36.0 1.0
CA B:ASP73 4.5 34.4 1.0
HG1 C:THR72 4.5 40.8 1.0
CA B:PRO99 4.5 36.4 1.0
N B:ASP73 4.5 34.4 1.0
HG1 B:THR72 4.5 35.0 1.0
O B:HOH1036 4.6 49.1 1.0
CB B:PRO99 4.6 37.4 1.0
CB C:PRO99 4.6 36.1 1.0
O C:PRO99 4.6 33.1 1.0
CA C:THR72 4.7 36.5 1.0
HB2 B:PRO99 4.7 39.4 1.0
HB2 C:PRO99 4.8 37.2 1.0
O B:PRO99 4.8 34.6 1.0
CA B:THR72 4.8 32.6 1.0

Potassium binding site 3 out of 3 in 4mab

Go back to Potassium Binding Sites List in 4mab
Potassium binding site 3 out of 3 in the Resolving Cys to Ala Variant of 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 Resolving Cys to Ala Variant of Salmonella Alkyl Hydroperoxide Reductase C in Its Substrate-Ready Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K201

b:0.7
occ:1.00
O E:THR72 3.2 47.5 1.0
O D:THR72 3.2 45.8 1.0
HA D:PRO99 3.2 62.9 1.0
HB E:THR72 3.3 44.6 1.0
HB D:THR72 3.4 47.4 1.0
HA E:PRO99 3.5 60.7 1.0
O E:HOH1110 3.5 65.5 1.0
O D:PRO99 3.6 48.0 1.0
O D:HOH1096 3.6 57.0 1.0
O E:PRO99 3.7 50.5 1.0
CA D:PRO99 4.0 50.1 1.0
HG1 E:THR72 4.1 56.1 1.0
CB E:THR72 4.1 44.8 1.0
HB3 D:PRO99 4.1 68.6 1.0
OG1 E:THR72 4.2 46.3 1.0
HB2 D:PRO99 4.2 68.6 1.0
CA E:PRO99 4.3 51.0 1.0
C E:THR72 4.3 48.5 1.0
CB D:THR72 4.3 43.2 1.0
C D:THR72 4.3 44.3 1.0
C D:PRO99 4.3 49.6 1.0
CB D:PRO99 4.3 51.9 1.0
HB3 E:PRO99 4.4 57.6 1.0
C E:PRO99 4.4 50.7 1.0
O E:GLY115 4.5 50.9 1.0
HG1 D:THR72 4.6 50.4 1.0
OG1 D:THR72 4.6 45.1 1.0
HB2 E:PRO99 4.7 57.6 1.0
CB E:PRO99 4.7 50.6 1.0
O D:GLY115 4.8 50.0 1.0
CA E:THR72 4.8 45.3 1.0
CA D:THR72 4.9 43.4 1.0
HA D:ASP73 4.9 48.4 1.0
HA E:ASP73 4.9 59.5 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: Mon Aug 12 11:34:03 2024

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