Cadmium in PDB 2ozq: Crystal Structure of Apo-Mup

The structure of Crystal Structure of Apo-Mup, PDB code: 2ozq was solved by C.A.Dennis, S.W.Homans, S.E.V.Phillips, N.R.Syme, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.37 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.786, 53.786, 137.521, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 23.3

The structure of Crystal Structure of Apo-Mup also contains other interesting chemical elements:

Sodium

(Na)

5 atoms

The binding sites of Cadmium atom in the Crystal Structure of Apo-Mup (pdb code 2ozq). 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 Apo-Mup, PDB code: 2ozq:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Crystal Structure of Apo-Mup


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 Apo-Mup within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd200 b:12.9 occ:1.00 OE2 A:GLU139 2.3 10.9 1.0 O A:HOH227 2.5 13.2 1.0 OE1 A:GLU139 2.5 11.6 1.0 CD A:GLU139 2.7 11.4 1.0 NE2 A:GLN136 4.2 8.1 1.0 CG A:GLU139 4.2 12.3 1.0 O A:HOH237 4.2 20.1 1.0 O A:HOH239 4.3 21.6 1.0 OE1 A:GLN136 4.5 13.7 1.0 O A:HOH219 4.5 17.0 1.0 CD A:GLN136 4.8 9.4 1.0

Cadmium binding site 2 out of 2 in the Crystal Structure of Apo-Mup


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 Apo-Mup within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd201 b:15.4 occ:0.65 OE1 A:GLU13 2.4 19.5 1.0 OE2 A:GLU13 2.7 23.4 1.0 CD A:GLU13 2.9 19.4 1.0 O A:HOH368 4.0 35.0 1.0 CG A:GLU13 4.4 17.3 1.0 O A:HOH259 4.7 33.2 1.0

N.R.Syme, C.Dennis, S.E.Phillips, S.W.Homans. Origin of Heat Capacity Changes in A "Nonclassical" Hydrophobic Interaction. Chembiochem V. 8 1509 2007.
ISSN: ISSN 1439-4227
PubMed: 17625803
DOI: 10.1002/CBIC.200700281