Cadmium 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:

Magnesium

(Mg)

2 atoms

The binding sites of Cadmium atom in the Crystal Structure of GOX2181 (pdb code 3awd). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Crystal Structure of GOX2181, PDB code: 3awd:
Jump to Cadmium binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of GOX2181 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd258 b:13.4 occ:1.00 OD1 B:ASP60 2.4 21.4 1.0 O B:HOH270 2.5 15.2 1.0 O B:HOH284 2.6 23.9 1.0 OD2 B:ASP60 2.6 17.9 1.0 O B:HOH520 2.7 32.1 1.0 CG B:ASP60 2.8 17.4 1.0 O B:HOH747 4.2 37.7 1.0 CB B:ASP60 4.3 17.8 1.0 OE2 B:GLU85 4.7 19.2 1.0 OE1 B:GLU85 4.8 15.5 1.0 O B:HOH468 4.8 30.9 1.0 CA B:ASP60 4.9 16.5 1.0

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


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of GOX2181 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cd258 b:16.9 occ:1.00 O C:HOH320 2.5 23.3 1.0 O C:HOH329 2.5 22.6 1.0 O C:HOH461 2.5 36.5 1.0 O C:HOH310 2.6 26.2 1.0 OE2 C:GLU85 2.7 22.2 1.0 OE1 C:GLU85 2.7 18.4 1.0 CD C:GLU85 3.1 19.6 1.0 OD1 C:ASP60 4.4 22.4 1.0 O C:HOH344 4.5 21.4 1.0 CG C:GLU85 4.6 17.2 1.0 OD2 C:ASP60 4.7 23.6 1.0 O C:HOH340 4.7 33.0 1.0 NH2 C:ARG36 4.7 17.6 1.0 O C:HOH540 4.9 32.5 1.0 NE C:ARG36 4.9 14.5 1.0 CG C:ASP60 5.0 22.0 1.0 O C:GLN84 5.0 20.1 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