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Nickel in PDB 8ajk: Crystal Structure of A C43S Variant From the Disulfide Reductase Mera From Staphylococcus Aureus

Protein crystallography data

The structure of Crystal Structure of A C43S Variant From the Disulfide Reductase Mera From Staphylococcus Aureus, PDB code: 8ajk was solved by P.Weiland, F.Altegoer, G.Bange, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.68 / 1.60
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 61.25, 88.79, 186.84, 90, 90, 90
R / Rfree (%) 17.8 / 20.3

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of A C43S Variant From the Disulfide Reductase Mera From Staphylococcus Aureus (pdb code 8ajk). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of A C43S Variant From the Disulfide Reductase Mera From Staphylococcus Aureus, PDB code: 8ajk:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in 8ajk

Go back to Nickel Binding Sites List in 8ajk
Nickel binding site 1 out of 2 in the Crystal Structure of A C43S Variant From the Disulfide Reductase Mera From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of A C43S Variant From the Disulfide Reductase Mera From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni605

b:45.5
occ:1.00
NE2 A:HIS444 2.0 52.3 1.0
O A:HOH898 2.1 40.8 1.0
ND1 A:HIS442 2.2 36.1 1.0
O A:HOH1050 2.5 52.6 1.0
O A:HOH1040 2.7 44.2 1.0
CE1 A:HIS444 2.8 51.0 1.0
CD2 A:HIS444 3.1 52.4 1.0
CG A:HIS442 3.1 47.4 1.0
CE1 A:HIS442 3.2 45.8 1.0
CB A:HIS442 3.3 45.5 1.0
O A:HOH1114 3.9 54.2 1.0
ND1 A:HIS444 4.0 50.1 1.0
O A:HOH1084 4.1 56.6 1.0
CG A:HIS444 4.2 54.0 1.0
CD2 A:HIS442 4.3 47.1 1.0
NE2 A:HIS442 4.3 43.2 1.0
CA A:HIS442 4.8 41.3 1.0

Nickel binding site 2 out of 2 in 8ajk

Go back to Nickel Binding Sites List in 8ajk
Nickel binding site 2 out of 2 in the Crystal Structure of A C43S Variant From the Disulfide Reductase Mera From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of A C43S Variant From the Disulfide Reductase Mera From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni503

b:82.3
occ:1.00
NE2 B:HIS444 2.1 55.1 1.0
ND1 B:HIS442 2.3 50.6 1.0
O B:HOH892 2.3 54.3 1.0
O B:HOH873 2.4 37.2 1.0
O B:HOH914 2.4 48.9 1.0
O B:HOH894 2.5 50.5 1.0
CD2 B:HIS444 3.0 54.1 1.0
CE1 B:HIS444 3.1 55.2 1.0
CG B:HIS442 3.2 43.0 1.0
CE1 B:HIS442 3.3 45.5 1.0
CB B:HIS442 3.4 44.6 1.0
CG B:HIS444 4.2 55.7 1.0
ND1 B:HIS444 4.2 55.5 1.0
CD2 B:HIS442 4.4 41.7 1.0
NE2 B:HIS442 4.4 40.4 1.0
O B:HOH942 4.4 50.7 1.0
CA B:HIS442 4.9 42.4 1.0

Reference:

H.L.Shearer, V.Van Loi, P.Weiland, G.Bange, F.Altegoer, M.B.Hampton, H.Antelmann, N.Dickerhof. Mera Functions As A Hypothiocyanous Acid Reductase and Defense Mechanism in Staphylococcus Aureus. Mol.Microbiol. 2023.
ISSN: ESSN 1365-2958
PubMed: 36779383
DOI: 10.1111/MMI.15035
Page generated: Thu Oct 10 09:34:54 2024

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