Cadmium in PDB 1nz4: The Horse Heart Myoglobin Variant K45E/K63E Complexed with Cadmium

The structure of The Horse Heart Myoglobin Variant K45E/K63E Complexed with Cadmium, PDB code: 1nz4 was solved by C.L.Hunter, R.Maurus, M.R.Mauk, H.Lee, E.L.Raven, H.Tong, N.Nguyen, S.Smith, G.D.Brayer, A.G.Mauk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	29.300, 35.800, 125.100, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of The Horse Heart Myoglobin Variant K45E/K63E Complexed with Cadmium also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Cadmium atom in the The Horse Heart Myoglobin Variant K45E/K63E Complexed with Cadmium (pdb code 1nz4). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the The Horse Heart Myoglobin Variant K45E/K63E Complexed with Cadmium, PDB code: 1nz4:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the The Horse Heart Myoglobin Variant K45E/K63E Complexed with Cadmium


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of The Horse Heart Myoglobin Variant K45E/K63E Complexed with Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd300 b:29.0 occ:0.90 OE2 A:GLU45 2.3 46.7 0.0 O A:HOH216 2.4 49.0 1.0 O2D A:HEM154 2.4 24.0 1.0 O1D A:HEM154 2.7 29.0 1.0 CGD A:HEM154 2.9 23.0 1.0 OE1 A:GLU45 3.0 46.2 0.0 O A:HOH217 3.0 36.0 1.0 CD A:GLU45 3.0 43.0 0.0 O A:HOH207 4.2 46.0 1.0 CBD A:HEM154 4.3 18.0 1.0 CG A:GLU45 4.4 37.7 0.0 O A:HOH168 4.6 29.0 1.0

Cadmium binding site 2 out of 2 in the The Horse Heart Myoglobin Variant K45E/K63E Complexed with Cadmium


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of The Horse Heart Myoglobin Variant K45E/K63E Complexed with Cadmium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd301 b:52.0 occ:0.93 OD2 A:ASP122 2.5 29.0 1.0 NZ A:LYS16 2.8 34.0 1.0 ND1 A:HIS119 3.1 20.0 1.0 O A:HOH218 3.3 42.0 0.9 O A:HOH219 3.3 48.0 0.9 CG A:ASP122 3.5 29.0 1.0 CB A:ASP122 3.8 23.0 1.0 CE A:LYS16 3.8 32.0 1.0 CG A:HIS119 3.8 18.0 1.0 CB A:HIS119 3.9 19.0 1.0 CE1 A:HIS119 4.1 21.0 1.0 CD A:LYS16 4.1 31.0 1.0 OD1 A:ASP122 4.5 33.0 1.0 CA A:HIS119 4.6 18.0 1.0 CG A:LYS16 4.6 25.0 1.0 CD2 A:HIS119 4.9 16.0 1.0

C.L.Hunter, R.Maurus, M.R.Mauk, H.Lee, E.L.Raven, H.Tong, N.Nguyen, M.Smith, G.D.Brayer, A.G.Mauk. Introduction and Characterization of A Functionally Linked Metal Ion Binding Site at the Exposed Heme Edge of Myoglobin Proc.Natl.Acad.Sci.Usa V. 100 3647 2003.
ISSN: ISSN 0027-8424
PubMed: 12644706
DOI: 10.1073/PNAS.0636702100