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Manganese in PDB 6dk4: Crystal Structure of Campylobacter Jejuni Peroxide Stress Regulator

Protein crystallography data

The structure of Crystal Structure of Campylobacter Jejuni Peroxide Stress Regulator, PDB code: 6dk4 was solved by S.Sarvan, J.S.Brunzelle, J.F.Couture, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.00 / 2.71
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.110, 70.186, 85.158, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 27

Other elements in 6dk4:

The structure of Crystal Structure of Campylobacter Jejuni Peroxide Stress Regulator also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Campylobacter Jejuni Peroxide Stress Regulator (pdb code 6dk4). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Campylobacter Jejuni Peroxide Stress Regulator, PDB code: 6dk4:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 6dk4

Go back to Manganese Binding Sites List in 6dk4
Manganese binding site 1 out of 2 in the Crystal Structure of Campylobacter Jejuni Peroxide Stress Regulator


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Campylobacter Jejuni Peroxide Stress Regulator within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn201

b:45.2
occ:1.00
NE2 A:HIS86 2.1 39.2 1.0
NE2 A:HIS30 2.2 38.2 1.0
NE2 A:HIS84 2.2 41.5 1.0
OD2 A:ASP78 2.2 66.2 1.0
OD1 A:ASP97 2.3 62.4 1.0
CG A:ASP97 3.0 61.0 1.0
CD2 A:HIS86 3.0 39.5 1.0
CG A:ASP78 3.0 58.4 1.0
OD2 A:ASP97 3.1 73.3 1.0
CE1 A:HIS86 3.1 38.7 1.0
CD2 A:HIS84 3.2 42.0 1.0
CD2 A:HIS30 3.2 38.4 1.0
CE1 A:HIS84 3.2 41.6 1.0
CE1 A:HIS30 3.2 38.2 1.0
OD1 A:ASP78 3.6 62.5 1.0
CB A:ASP78 4.0 41.5 1.0
CG A:HIS86 4.2 38.2 1.0
ND1 A:HIS86 4.3 39.6 1.0
CG A:HIS84 4.3 40.5 1.0
CG A:HIS30 4.3 38.1 1.0
ND1 A:HIS84 4.4 42.4 1.0
CB A:ASP97 4.4 41.7 1.0
ND1 A:HIS30 4.4 39.9 1.0
CA A:ASP97 5.0 40.8 1.0

Manganese binding site 2 out of 2 in 6dk4

Go back to Manganese Binding Sites List in 6dk4
Manganese binding site 2 out of 2 in the Crystal Structure of Campylobacter Jejuni Peroxide Stress Regulator


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Campylobacter Jejuni Peroxide Stress Regulator within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn201

b:57.3
occ:1.00
OD1 B:ASP97 2.2 51.3 1.0
NE2 B:HIS30 2.2 53.5 1.0
NE2 B:HIS86 2.2 50.8 1.0
OD2 B:ASP78 2.3 72.7 1.0
NE2 B:HIS84 2.3 55.9 1.0
CG B:ASP97 2.9 50.7 1.0
OD2 B:ASP97 3.0 57.5 1.0
CG B:ASP78 3.0 64.8 1.0
CD2 B:HIS86 3.1 51.1 1.0
CE1 B:HIS30 3.2 53.4 1.0
CD2 B:HIS30 3.2 53.8 1.0
CD2 B:HIS84 3.2 55.8 1.0
CE1 B:HIS86 3.3 50.5 1.0
CE1 B:HIS84 3.3 55.4 1.0
OD1 B:ASP78 3.5 60.1 1.0
CB B:ASP78 4.1 62.6 1.0
CB B:ASP97 4.3 41.9 1.0
CG B:HIS86 4.3 49.1 1.0
ND1 B:HIS30 4.3 54.6 1.0
CG B:HIS30 4.3 53.6 1.0
CG B:HIS84 4.4 54.1 1.0
ND1 B:HIS86 4.4 51.0 1.0
ND1 B:HIS84 4.4 55.5 1.0
CD2 B:HIS28 4.6 75.2 1.0
CA B:ASP97 4.9 41.2 1.0

Reference:

S.Sarvan, F.Charih, J.Butcher, J.S.Brunzelle, A.Stintzi, J.F.Couture. Crystal Structure of Campylobacter Jejuni Peroxide Regulator. Febs Lett. V. 592 2351 2018.
ISSN: ISSN 1873-3468
PubMed: 29856899
DOI: 10.1002/1873-3468.13120
Page generated: Tue Dec 15 04:51:41 2020

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