Cadmium in PDB 1gwg: Tri-Iodide Derivative of Apoferritin

The structure of Tri-Iodide Derivative of Apoferritin, PDB code: 1gwg was solved by G.Evans, G.Bricogne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.14 / 2.01
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	181.190, 181.190, 181.190, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 20.8

The structure of Tri-Iodide Derivative of Apoferritin also contains other interesting chemical elements:

Iodine

(I)

9 atoms

The binding sites of Cadmium atom in the Tri-Iodide Derivative of Apoferritin (pdb code 1gwg). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Tri-Iodide Derivative of Apoferritin, PDB code: 1gwg:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Tri-Iodide Derivative of Apoferritin


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Tri-Iodide Derivative of Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1178 b:19.1 occ:0.50 OD2 A:ASP80 2.5 20.1 1.0 OD1 A:ASP80 2.6 13.0 1.0 I A:IOD1180 2.8 22.1 0.6 CG A:ASP80 2.9 15.3 1.0 O A:HOH2081 4.4 14.9 1.0 CB A:ASP80 4.4 11.8 1.0 O A:HOH2084 4.6 1.0 0.5

Cadmium binding site 2 out of 2 in the Tri-Iodide Derivative of Apoferritin


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Tri-Iodide Derivative of Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1179 b:29.1 occ:0.17 OE1 A:GLU130 2.5 43.9 1.0 O A:HOH2127 2.6 25.4 1.0 O A:HOH2126 2.9 37.1 0.3 CD A:GLU130 3.4 48.2 1.0 O A:HOH2125 3.6 24.2 0.3 OE2 A:GLU130 3.6 46.8 1.0 CG A:GLU130 4.7 30.0 1.0 CB A:GLU130 4.9 27.3 1.0

G.Evans, G.Bricogne. Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods For Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment Acta Crystallogr.,Sect.D V. 58 976 2002.
ISSN: ISSN 0907-4449
PubMed: 12037300
DOI: 10.1107/S0907444902005486