Iron in PDB 8oez: Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride

The structure of Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride, PDB code: 8oez was solved by M.C.Lambert, J.P.Hall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.60 / 1.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	18.094, 30.387, 42.506, 90, 90, 90
R / Rfree (%)	19.4 / 22.4

The structure of Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride (pdb code 8oez). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride, PDB code: 8oez:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:48.7 occ:1.00 O A:HOH205 2.1 20.2 0.5 O A:HOH225 2.1 30.0 0.2 O A:HOH212 2.1 36.8 1.0 N7 A:DG2 2.4 5.6 1.0 O A:HOH231 2.5 30.0 1.0 H8 A:DG2 3.0 8.2 1.0 C8 A:DG2 3.1 6.9 1.0 C5 A:DG2 3.6 6.5 1.0 O A:HOH230 3.7 29.9 0.5 O6 A:DG2 4.1 7.1 1.0 H5' A:DC1 4.1 13.0 1.0 C6 A:DG2 4.2 7.9 1.0 O B:HOH207 4.2 33.4 1.0 N9 A:DG2 4.4 6.3 1.0 C4 A:DG2 4.6 8.0 1.0 O A:HOH221 4.6 30.0 1.0

Iron binding site 2 out of 4 in the Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe102 b:18.2 occ:1.00 N7 A:DG4 2.3 6.7 1.0 O A:HOH226 2.3 20.2 0.5 O A:HOH222 2.4 13.3 1.0 O A:HOH202 2.5 16.5 1.0 C8 A:DG4 3.2 5.4 1.0 H8 A:DG4 3.3 6.5 1.0 C5 A:DG4 3.3 6.4 1.0 O6 A:DG4 3.6 6.7 1.0 C6 A:DG4 3.8 6.7 1.0 O A:HOH209 4.0 10.4 1.0 O A:HOH210 4.3 20.1 0.5 N9 A:DG4 4.4 5.5 1.0 H5' A:DC3 4.4 9.7 1.0 C4 A:DG4 4.4 5.9 1.0 H41 A:DC5 4.6 12.2 1.0 O B:HOH209 4.9 20.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe103 b:51.7 occ:0.74 N7 A:DG6 2.3 5.9 1.0 O6 A:DG6 2.8 6.7 1.0 C5 A:DG6 3.1 5.0 1.0 C6 A:DG6 3.3 5.2 1.0 C8 A:DG6 3.5 6.5 1.0 O A:HOH227 3.5 40.8 1.0 H8 A:DG6 3.8 7.8 1.0 C4 A:DG6 4.4 4.4 1.0 N9 A:DG6 4.6 6.1 1.0 H42 B:DC1 4.6 6.2 0.6 H5' A:DC5 4.6 4.1 1.0 N1 A:DG6 4.6 3.2 1.0 H42 B:DC1 4.7 6.5 0.4

Iron binding site 4 out of 4 in the Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the Z-Dna Hexamer D(Cgcgcg) with Iron(II) Chloride within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:53.7 occ:1.00 N7 B:DG4 2.5 5.8 1.0 O B:HOH214 2.9 18.2 0.5 CL B:CL102 2.9 30.0 0.7 O B:HOH207 3.0 33.4 1.0 C8 B:DG4 3.3 6.7 1.0 H8 B:DG4 3.3 8.1 1.0 C5 B:DG4 3.6 5.3 1.0 O6 B:DG4 3.9 5.5 1.0 C6 B:DG4 4.1 5.2 1.0 O B:HOH205 4.2 24.6 1.0 O A:HOH230 4.3 29.9 0.5 H41 B:DC5 4.5 11.1 0.5 H41 B:DC5 4.5 11.8 0.5 N9 B:DG4 4.6 8.8 1.0 H5' B:DC3 4.7 15.8 1.0 C4 B:DG4 4.7 6.0 1.0 H42 B:DC5 4.9 11.1 0.5 H42 B:DC5 5.0 11.8 0.5 N4 B:DC5 5.0 9.3 0.5 N4 B:DC5 5.0 9.8 0.5

M.C.Lambert, J.P.Hall. Iron Binding Preferences: Observing Metal Coordination Before Oxidative Damage. To Be Published.