Magnesium in PDB 5auo: Crystal Structure of the Hypab-Ni Complex (Amppcp)

The structure of Crystal Structure of the Hypab-Ni Complex (Amppcp), PDB code: 5auo was solved by S.Watanabe, T.Kawashima, Y.Nishitani, K.Miki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.95 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.361, 81.887, 61.270, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.3

The structure of Crystal Structure of the Hypab-Ni Complex (Amppcp) also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of the Hypab-Ni Complex (Amppcp) (pdb code 5auo). 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 the Hypab-Ni Complex (Amppcp), PDB code: 5auo:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Hypab-Ni Complex (Amppcp)


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 the Hypab-Ni Complex (Amppcp) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:23.2 occ:1.00 O B:HOH436 2.1 23.6 1.0 O B:HOH422 2.1 21.9 1.0 O B:HOH454 2.1 23.3 1.0 O2B B:ACP301 2.1 25.8 1.0 OG B:SER34 2.1 24.4 1.0 O3G B:ACP301 2.2 26.2 1.0 CB B:SER34 3.2 26.7 1.0 PB B:ACP301 3.3 25.4 1.0 PG B:ACP301 3.3 26.2 1.0 C3B B:ACP301 3.6 24.4 1.0 N B:SER34 3.9 21.7 1.0 OD2 B:ASP57 4.0 28.4 1.0 O B:HOH423 4.0 26.3 1.0 CA B:SER34 4.1 23.2 1.0 OD2 B:ASP132 4.1 27.7 1.0 O2G B:ACP301 4.2 28.1 1.0 OG B:SER62 4.2 33.4 1.0 O1B B:ACP301 4.2 22.5 1.0 O2A B:ACP301 4.2 28.6 1.0 OD1 B:ASP132 4.3 27.2 1.0 O1G B:ACP301 4.4 27.0 1.0 O3A B:ACP301 4.4 27.6 1.0 CB B:LYS33 4.5 24.1 1.0 CE B:LYS33 4.5 24.6 1.0 CB B:SER62 4.6 26.9 1.0 CG B:ASP132 4.6 24.4 1.0 O B:MET133 4.7 25.1 1.0 PA B:ACP301 4.7 27.6 1.0 C B:LYS33 4.8 24.3 1.0 NZ B:LYS33 4.9 27.4 1.0 O B:GLY60 4.9 33.2 1.0 O1A B:ACP301 4.9 29.0 1.0 CG B:ASP57 5.0 32.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Hypab-Ni Complex (Amppcp)


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 the Hypab-Ni Complex (Amppcp) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:47.0 occ:1.00 O B:HOH408 2.1 45.9 1.0 O B:HOH425 2.1 40.4 1.0 O B:HOH490 2.1 45.8 1.0 O B:LYS149 2.1 32.3 1.0 C B:LYS149 3.3 32.5 1.0 O B:HOH409 3.9 41.0 1.0 CA B:LYS149 4.1 31.7 1.0 O B:GLY178 4.2 35.8 1.0 N B:ARG150 4.4 26.0 1.0 O B:GLY151 4.4 29.9 1.0 CA B:HIS179 4.4 29.0 1.0 N B:LYS180 4.5 25.7 1.0 ND1 B:HIS179 4.5 35.1 1.0 CB B:LYS149 4.5 32.0 1.0 CA B:ARG150 4.5 28.2 1.0 O B:HOH456 4.6 44.8 1.0 C B:ARG150 4.8 27.1 1.0 N B:GLY151 4.8 28.0 1.0

S.Watanabe, T.Kawashima, Y.Nishitani, T.Kanai, T.Wada, K.Inaba, H.Atomi, T.Imanaka, K.Miki. Structural Basis of A Ni Acquisition Cycle For [Nife] Hydrogenase By Ni-Metallochaperone Hypa and Its Enhancer Proc.Natl.Acad.Sci.Usa V. 112 7701 2015.
ISSN: ESSN 1091-6490
PubMed: 26056269
DOI: 10.1073/PNAS.1503102112