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

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

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 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 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

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