Iron in PDB 3hq7: Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant

All present enzymatic activity of Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant:
1.11.1.5;

The structure of Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant, PDB code: 3hq7 was solved by M.Hoffmann, J.Seidel, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.00 / 2.31
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.299, 99.353, 78.225, 89.97, 89.98, 90.00
R / Rfree (%)	20.9 / 29.4

The structure of Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant (pdb code 3hq7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant, PDB code: 3hq7:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:29.2 occ:1.00 FE A:HEM401 0.0 29.2 1.0 NA A:HEM401 1.9 26.6 1.0 NC A:HEM401 2.0 24.5 1.0 NE2 A:HIS93 2.1 35.4 1.0 NB A:HEM401 2.1 29.3 1.0 ND A:HEM401 2.1 28.0 1.0 NE2 A:HIS77 2.2 24.7 1.0 C1A A:HEM401 2.9 27.3 1.0 C4D A:HEM401 2.9 28.4 1.0 C1C A:HEM401 2.9 21.7 1.0 C4B A:HEM401 3.0 24.8 1.0 CE1 A:HIS93 3.0 36.0 1.0 C4A A:HEM401 3.0 28.3 1.0 CD2 A:HIS93 3.1 32.3 1.0 CD2 A:HIS77 3.1 22.6 1.0 CE1 A:HIS77 3.2 23.1 1.0 CHA A:HEM401 3.2 26.0 1.0 C1B A:HEM401 3.2 27.9 1.0 C4C A:HEM401 3.2 30.0 1.0 C1D A:HEM401 3.3 29.4 1.0 CHC A:HEM401 3.3 23.8 1.0 CHB A:HEM401 3.5 24.7 1.0 CHD A:HEM401 3.7 27.3 1.0 C2A A:HEM401 4.1 28.3 1.0 ND1 A:HIS93 4.2 35.2 1.0 C2C A:HEM401 4.2 26.8 1.0 C3A A:HEM401 4.2 27.6 1.0 CG A:HIS93 4.2 30.6 1.0 C3D A:HEM401 4.2 30.2 1.0 ND1 A:HIS77 4.2 18.4 1.0 CG A:HIS77 4.3 20.4 1.0 C3B A:HEM401 4.3 24.9 1.0 C3C A:HEM401 4.3 22.8 1.0 C2B A:HEM401 4.4 25.4 1.0 C2D A:HEM401 4.4 25.6 1.0

Iron binding site 2 out of 2 in the Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ccpa From G. Sulfurreducens, G94K/K97Q/R100I Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:39.8 occ:1.00 FE A:HEM402 0.0 39.8 1.0 NE2 A:HIS223 2.0 7.1 1.0 SD A:MET297 2.0 36.0 1.0 NB A:HEM402 2.0 53.8 1.0 NC A:HEM402 2.2 51.5 1.0 NA A:HEM402 2.2 51.7 1.0 ND A:HEM402 2.3 49.0 1.0 CE1 A:HIS223 2.8 22.9 1.0 C1B A:HEM402 3.1 55.0 1.0 C4B A:HEM402 3.1 53.8 1.0 C1C A:HEM402 3.1 52.7 1.0 C4D A:HEM402 3.2 44.5 1.0 CD2 A:HIS223 3.2 26.5 1.0 C1A A:HEM402 3.2 49.5 1.0 C4A A:HEM402 3.2 48.3 1.0 C1D A:HEM402 3.2 49.5 1.0 C4C A:HEM402 3.2 51.4 1.0 CG A:MET297 3.4 38.6 1.0 CHC A:HEM402 3.4 50.6 1.0 CHA A:HEM402 3.5 48.1 1.0 CHB A:HEM402 3.5 51.4 1.0 CE A:MET297 3.5 30.6 1.0 CHD A:HEM402 3.6 50.1 1.0 ND1 A:HIS223 4.0 19.6 1.0 CB A:MET297 4.1 42.3 1.0 CG A:HIS223 4.2 27.3 1.0 C2B A:HEM402 4.3 53.8 1.0 C3B A:HEM402 4.3 52.6 1.0 C3D A:HEM402 4.3 40.0 1.0 C2C A:HEM402 4.3 54.7 1.0 C2D A:HEM402 4.4 46.7 1.0 C2A A:HEM402 4.4 51.4 1.0 C3A A:HEM402 4.4 50.4 1.0 C3C A:HEM402 4.4 51.9 1.0

M.Hoffmann, J.Seidel, O.Einsle. Ccpa From Geobacter Sulfurreducens Is A Basic Di-Heme Cytochrome C Peroxidase. J.Mol.Biol. V. 393 951 2009.
ISSN: ISSN 0022-2836
PubMed: 19735665
DOI: 10.1016/J.JMB.2009.09.001