Magnesium in PDB 4oeu: Crystal Structure of Nikz From Campylobacter Jejuni in Complex with Ni(L-His)

The structure of Crystal Structure of Nikz From Campylobacter Jejuni in Complex with Ni(L-His), PDB code: 4oeu was solved by H.Lebrette, C.Cavazza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.63 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	154.480, 72.770, 86.090, 90.00, 111.99, 90.00
R / Rfree (%)	19.2 / 24.1

The structure of Crystal Structure of Nikz From Campylobacter Jejuni in Complex with Ni(L-His) also contains other interesting chemical elements:

Nickel

(Ni)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Nikz From Campylobacter Jejuni in Complex with Ni(L-His) (pdb code 4oeu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Nikz From Campylobacter Jejuni in Complex with Ni(L-His), PDB code: 4oeu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Nikz From Campylobacter Jejuni in Complex with Ni(L-His)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Nikz From Campylobacter Jejuni in Complex with Ni(L-His) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:62.3 occ:1.00 O A:HOH736 2.0 47.7 1.0 OD1 A:ASN31 2.0 46.4 1.0 O A:HOH735 2.1 53.0 1.0 O A:HOH732 2.3 36.2 1.0 O A:HOH733 2.4 44.9 1.0 O A:HOH731 2.4 42.4 1.0 CG A:ASN31 3.2 48.4 1.0 O A:SER134 3.7 40.8 1.0 ND2 A:ASN31 3.8 50.7 1.0 CA A:SER35 4.2 41.8 1.0 O A:PHE34 4.2 44.2 1.0 N A:GLY36 4.2 39.5 1.0 OD2 A:ASP49 4.3 45.4 1.0 CB A:ASN31 4.4 45.9 1.0 O A:ASN31 4.6 46.9 1.0 O A:HOH734 4.6 29.5 1.0 CA A:ASN31 4.7 45.3 1.0 C A:SER35 4.7 40.7 1.0 O A:THR38 4.8 39.3 1.0 CB A:SER35 4.8 44.2 1.0 C A:SER134 4.9 40.4 1.0 CB A:ARG39 4.9 48.6 1.0 C A:PHE34 5.0 43.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Nikz From Campylobacter Jejuni in Complex with Ni(L-His)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Nikz From Campylobacter Jejuni in Complex with Ni(L-His) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg505 b:43.5 occ:1.00 O B:HOH761 2.0 34.1 1.0 O B:HOH757 2.0 25.8 1.0 OD1 B:ASN31 2.1 38.6 1.0 O B:HOH760 2.1 51.5 1.0 O B:HOH758 2.2 32.9 1.0 O B:HOH759 2.2 39.2 1.0 CG B:ASN31 3.2 40.0 1.0 ND2 B:ASN31 3.6 43.0 1.0 O B:SER134 3.9 32.6 1.0 O B:HOH670 4.0 54.8 1.0 OD2 B:ASP49 4.2 33.8 1.0 O B:HOH762 4.2 19.8 1.0 N B:GLY36 4.4 29.0 1.0 CA B:SER35 4.4 31.2 1.0 O B:PHE34 4.5 33.9 1.0 CB B:ASN31 4.5 38.2 1.0 O B:THR38 4.5 25.8 1.0 O B:ASN31 4.5 36.9 1.0 CB B:ARG39 4.6 30.6 1.0 CA B:ASN31 4.8 37.1 1.0 C B:SER35 5.0 30.6 1.0 CB B:SER35 5.0 32.6 1.0

H.Lebrette, C.Brochier-Armanet, B.Zambelli, H.De Reuse, E.Borezee-Durant, S.Ciurli, C.Cavazza. Promiscuous Nickel Import in Human Pathogens: Structure, Thermodynamics, and Evolution of Extracytoplasmic Nickel-Binding Proteins. Structure 2014.
ISSN: ISSN 0969-2126
PubMed: 25199691
DOI: 10.1016/J.STR.2014.07.012