Iron in PDB 2czs: Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2

The structure of Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2, PDB code: 2czs was solved by D.Heitmann, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.12 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.645, 55.679, 39.637, 90.00, 105.91, 90.00
R / Rfree (%)	22.1 / 27.2

The structure of Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Iron atom in the Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2 (pdb code 2czs). 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 Analysis of the Diheme C-Type Cytochrome DHC2, PDB code: 2czs:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:20.0 occ:1.00 FE A:HEM500 0.0 20.0 1.0 NC A:HEM500 2.0 21.9 1.0 NB A:HEM500 2.0 19.1 1.0 NE2 A:HIS63 2.0 21.6 1.0 NE2 A:HIS39 2.0 18.1 1.0 NA A:HEM500 2.0 21.9 1.0 ND A:HEM500 2.1 18.6 1.0 CE1 A:HIS39 3.0 21.6 1.0 C1C A:HEM500 3.0 16.9 1.0 CE1 A:HIS63 3.0 22.1 1.0 C1B A:HEM500 3.0 19.5 1.0 CD2 A:HIS63 3.0 19.8 1.0 C4B A:HEM500 3.0 18.5 1.0 C4C A:HEM500 3.0 21.9 1.0 C4A A:HEM500 3.0 18.9 1.0 CD2 A:HIS39 3.1 17.9 1.0 C1A A:HEM500 3.1 21.9 1.0 C4D A:HEM500 3.1 21.5 1.0 C1D A:HEM500 3.1 23.2 1.0 CHC A:HEM500 3.4 20.3 1.0 CHB A:HEM500 3.4 18.7 1.0 CHA A:HEM500 3.4 21.2 1.0 CHD A:HEM500 3.4 21.3 1.0 ND1 A:HIS39 4.1 23.2 1.0 ND1 A:HIS63 4.1 22.9 1.0 CG A:HIS63 4.2 22.0 1.0 CG A:HIS39 4.2 20.4 1.0 C2B A:HEM500 4.2 17.9 1.0 C3B A:HEM500 4.3 18.2 1.0 C2C A:HEM500 4.3 20.5 1.0 C3C A:HEM500 4.3 21.1 1.0 C3A A:HEM500 4.3 22.3 1.0 C2A A:HEM500 4.3 22.8 1.0 C2D A:HEM500 4.3 23.2 1.0 C3D A:HEM500 4.3 25.8 1.0

Iron binding site 2 out of 4 in the Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:20.5 occ:1.00 FE A:HEM501 0.0 20.5 1.0 NC A:HEM501 2.0 19.2 1.0 NE2 A:HIS91 2.0 17.6 1.0 NB A:HEM501 2.0 19.9 1.0 NE2 A:HIS76 2.0 25.2 1.0 NA A:HEM501 2.0 20.6 1.0 ND A:HEM501 2.1 21.1 1.0 CE1 A:HIS91 2.9 18.9 1.0 C4C A:HEM501 3.0 20.2 1.0 CD2 A:HIS76 3.0 29.0 1.0 C4A A:HEM501 3.0 19.6 1.0 C1D A:HEM501 3.0 20.3 1.0 C1B A:HEM501 3.0 17.4 1.0 C1C A:HEM501 3.0 21.7 1.0 CE1 A:HIS76 3.0 26.0 1.0 CD2 A:HIS91 3.1 18.2 1.0 C4B A:HEM501 3.1 20.1 1.0 C1A A:HEM501 3.1 21.0 1.0 C4D A:HEM501 3.1 19.8 1.0 CHD A:HEM501 3.3 22.0 1.0 CHB A:HEM501 3.3 20.0 1.0 CHC A:HEM501 3.4 20.8 1.0 CHA A:HEM501 3.5 22.8 1.0 ND1 A:HIS91 4.1 18.3 1.0 ND1 A:HIS76 4.1 27.4 1.0 CG A:HIS76 4.1 30.3 1.0 CG A:HIS91 4.2 19.0 1.0 C3C A:HEM501 4.2 22.4 1.0 C2C A:HEM501 4.2 20.9 1.0 C3A A:HEM501 4.3 21.8 1.0 C3B A:HEM501 4.3 20.2 1.0 C2B A:HEM501 4.3 20.6 1.0 C2D A:HEM501 4.3 21.1 1.0 C2A A:HEM501 4.3 23.3 1.0 C3D A:HEM501 4.3 23.1 1.0 CD2 A:PHE72 4.9 29.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:18.6 occ:1.00 FE B:HEM500 0.0 18.6 1.0 NE2 B:HIS63 1.9 19.7 1.0 NE2 B:HIS39 2.0 20.4 1.0 ND B:HEM500 2.0 17.5 1.0 NC B:HEM500 2.0 18.4 1.0 NA B:HEM500 2.1 19.7 1.0 NB B:HEM500 2.1 16.1 1.0 CE1 B:HIS39 2.9 18.9 1.0 CE1 B:HIS63 2.9 20.4 1.0 CD2 B:HIS63 3.0 17.3 1.0 C4C B:HEM500 3.0 19.4 1.0 C1D B:HEM500 3.0 21.2 1.0 C4D B:HEM500 3.0 20.4 1.0 C1C B:HEM500 3.1 17.1 1.0 CD2 B:HIS39 3.1 17.7 1.0 C1A B:HEM500 3.1 20.1 1.0 C4A B:HEM500 3.1 20.1 1.0 C1B B:HEM500 3.1 18.4 1.0 C4B B:HEM500 3.1 16.3 1.0 CHA B:HEM500 3.4 21.3 1.0 CHD B:HEM500 3.4 19.4 1.0 CHC B:HEM500 3.5 18.5 1.0 CHB B:HEM500 3.5 19.1 1.0 ND1 B:HIS63 4.0 20.7 1.0 ND1 B:HIS39 4.0 21.6 1.0 CG B:HIS63 4.1 19.5 1.0 CG B:HIS39 4.1 17.6 1.0 C3C B:HEM500 4.2 19.0 1.0 C2D B:HEM500 4.3 23.3 1.0 C2C B:HEM500 4.3 17.3 1.0 C3D B:HEM500 4.3 23.4 1.0 C3A B:HEM500 4.3 20.3 1.0 C2B B:HEM500 4.3 18.5 1.0 C2A B:HEM500 4.3 20.8 1.0 C3B B:HEM500 4.4 17.7 1.0

Iron binding site 4 out of 4 in the Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure Analysis of the Diheme C-Type Cytochrome DHC2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:20.8 occ:1.00 FE B:HEM501 0.0 20.8 1.0 NA B:HEM501 1.9 19.7 1.0 NE2 B:HIS76 2.0 22.8 1.0 ND B:HEM501 2.0 21.2 1.0 NB B:HEM501 2.0 18.1 1.0 NE2 B:HIS91 2.1 19.6 1.0 NC B:HEM501 2.1 20.4 1.0 C4A B:HEM501 3.0 21.9 1.0 C1A B:HEM501 3.0 23.7 1.0 CE1 B:HIS76 3.0 20.7 1.0 CD2 B:HIS76 3.0 24.9 1.0 CE1 B:HIS91 3.0 18.2 1.0 C1D B:HEM501 3.0 23.1 1.0 C1B B:HEM501 3.0 21.4 1.0 C4D B:HEM501 3.0 22.5 1.0 C4C B:HEM501 3.1 21.1 1.0 CD2 B:HIS91 3.1 20.4 1.0 C4B B:HEM501 3.1 20.2 1.0 C1C B:HEM501 3.2 21.4 1.0 CHB B:HEM501 3.3 20.5 1.0 CHA B:HEM501 3.4 21.6 1.0 CHD B:HEM501 3.4 23.3 1.0 CHC B:HEM501 3.5 21.4 1.0 ND1 B:HIS76 4.1 24.1 1.0 CG B:HIS76 4.1 26.2 1.0 ND1 B:HIS91 4.1 18.8 1.0 C3A B:HEM501 4.2 24.6 1.0 C2A B:HEM501 4.2 23.7 1.0 CG B:HIS91 4.2 18.0 1.0 C2D B:HEM501 4.3 22.9 1.0 C3D B:HEM501 4.3 24.4 1.0 C2B B:HEM501 4.3 19.9 1.0 C3B B:HEM501 4.3 20.9 1.0 C3C B:HEM501 4.3 21.5 1.0 C2C B:HEM501 4.4 19.2 1.0 CD2 B:PHE72 4.9 28.8 1.0

D.Heitmann, O.Einsle. Structural and Biochemical Characterization of DHC2, A Novel Diheme Cytochrome C From Geobacter Sulfurreducens Biochemistry V. 44 12411 2005.
ISSN: ISSN 0006-2960
PubMed: 16156654
DOI: 10.1021/BI0509999