Magnesium in PDB 3awd: Crystal Structure of GOX2181

The structure of Crystal Structure of GOX2181, PDB code: 3awd was solved by Y.Adam Yuan, Z.Yuan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.273, 121.416, 136.546, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 18.4

The structure of Crystal Structure of GOX2181 also contains other interesting chemical elements:

Cadmium

(Cd)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of GOX2181 (pdb code 3awd). 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 GOX2181, PDB code: 3awd:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of GOX2181


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 GOX2181 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg258 b:9.8 occ:1.00 O B:HOH826 2.0 11.6 1.0 OXT A:TRP257 2.0 11.0 1.0 OXT B:TRP257 2.1 9.8 1.0 O B:HOH323 2.1 11.4 1.0 O B:HOH948 2.1 13.6 1.0 O B:HOH356 2.2 12.0 1.0 C B:TRP257 3.0 9.8 1.0 C A:TRP257 3.0 11.4 1.0 O B:TRP257 3.3 9.6 1.0 O A:TRP257 3.4 11.7 1.0 O A:PHE254 4.3 10.5 1.0 O B:PHE254 4.3 9.9 1.0 CA A:TRP257 4.3 10.7 1.0 CA B:TRP257 4.4 9.9 1.0 CG2 A:ILE152 4.4 11.0 1.0 O A:HOH286 4.4 18.1 1.0 CG2 B:ILE152 4.5 9.5 1.0 O A:HOH411 4.5 18.9 1.0 O B:HOH336 4.5 14.9 1.0 O B:THR255 4.6 10.8 1.0 O B:HOH697 4.6 27.5 1.0 O A:THR255 4.7 11.4 1.0 N A:TRP257 4.7 9.2 1.0 N B:TRP257 4.7 9.1 1.0 O A:HOH292 4.8 14.9 1.0 C B:THR255 4.8 9.8 1.0 C A:THR255 4.8 10.2 1.0 O B:HOH334 4.9 16.9 1.0 CB A:TRP257 4.9 11.0 1.0 CB B:TRP257 4.9 10.0 1.0 CA B:THR255 4.9 9.5 1.0 CA A:THR255 4.9 10.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of GOX2181


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 GOX2181 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg259 b:10.1 occ:1.00 OXT D:TRP257 2.0 10.2 1.0 O D:HOH967 2.0 13.8 1.0 OXT C:TRP257 2.0 9.9 1.0 O D:HOH352 2.1 10.7 1.0 O C:HOH825 2.1 10.8 1.0 O C:HOH277 2.1 13.7 1.0 C D:TRP257 3.0 10.4 1.0 C C:TRP257 3.0 10.8 1.0 O D:TRP257 3.3 10.6 1.0 O C:TRP257 3.3 11.1 1.0 O C:PHE254 4.3 10.7 1.0 CA D:TRP257 4.4 10.6 1.0 O D:PHE254 4.4 10.7 1.0 CA C:TRP257 4.4 10.2 1.0 CG2 C:ILE152 4.4 9.6 1.0 O C:HOH298 4.4 14.3 1.0 CG2 D:ILE152 4.5 9.2 1.0 O C:HOH370 4.5 17.7 1.0 O D:HOH293 4.5 16.6 1.0 O C:THR255 4.6 12.7 1.0 O D:THR255 4.7 11.0 1.0 N C:TRP257 4.7 9.8 1.0 N D:TRP257 4.7 10.6 1.0 C C:THR255 4.8 11.0 1.0 O D:HOH342 4.8 16.1 1.0 C D:THR255 4.8 10.9 1.0 CB D:TRP257 4.9 10.3 1.0 CA C:THR255 4.9 10.7 1.0 CB C:TRP257 4.9 10.6 1.0 CA D:THR255 4.9 10.6 1.0 O D:HOH309 5.0 17.3 1.0

X.Liu, Z.Yuan, Y.Adam Yuan, J.Lin, D.Wei. Biochemical and Structural Analysis of GOX2181, A New Member of the Sdr Superfamily From Gluconobacter Oxydans. Biochem.Biophys.Res.Commun. V. 415 410 2011.
ISSN: ISSN 0006-291X
PubMed: 22040731
DOI: 10.1016/J.BBRC.2011.10.083