Iron in PDB 3hq9: Ccpa From G. Sulfurreducens, S134P Variant

All present enzymatic activity of Ccpa From G. Sulfurreducens, S134P Variant:
1.11.1.5;

The structure of Ccpa From G. Sulfurreducens, S134P Variant, PDB code: 3hq9 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)	63.92 / 1.52
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.899, 55.473, 68.606, 104.71, 99.39, 108.97
R / Rfree (%)	16 / 18.4

The structure of Ccpa From G. Sulfurreducens, S134P Variant also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the Ccpa From G. Sulfurreducens, S134P Variant (pdb code 3hq9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Ccpa From G. Sulfurreducens, S134P Variant, PDB code: 3hq9:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Ccpa From G. Sulfurreducens, S134P 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, S134P Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:11.9 occ:1.00 FE A:HEM400 0.0 11.9 1.0 NA A:HEM400 2.0 12.2 1.0 NB A:HEM400 2.0 13.1 1.0 ND A:HEM400 2.0 12.8 1.0 NC A:HEM400 2.0 12.4 1.0 NE2 A:HIS77 2.0 11.7 1.0 N3 A:IMD346 2.0 16.3 1.0 C2 A:IMD346 3.0 17.6 1.0 C1D A:HEM400 3.0 12.9 1.0 CD2 A:HIS77 3.0 12.2 1.0 CE1 A:HIS77 3.0 14.2 1.0 C4D A:HEM400 3.0 12.3 1.0 C4A A:HEM400 3.0 15.0 1.0 C4B A:HEM400 3.0 11.6 1.0 C4C A:HEM400 3.0 12.4 1.0 C1B A:HEM400 3.0 13.5 1.0 C1A A:HEM400 3.0 13.4 1.0 C4 A:IMD346 3.0 21.6 1.0 C1C A:HEM400 3.1 11.1 1.0 CHD A:HEM400 3.4 13.7 1.0 CHA A:HEM400 3.4 12.4 1.0 CHB A:HEM400 3.4 14.9 1.0 CHC A:HEM400 3.4 12.4 1.0 ND1 A:HIS77 4.1 13.5 1.0 CG A:HIS77 4.1 12.7 1.0 N1 A:IMD346 4.1 20.7 1.0 C5 A:IMD346 4.2 17.2 1.0 C3D A:HEM400 4.2 12.9 1.0 C2D A:HEM400 4.2 13.5 1.0 C3B A:HEM400 4.2 12.6 1.0 C3A A:HEM400 4.2 15.4 1.0 C2B A:HEM400 4.2 13.4 1.0 C3C A:HEM400 4.2 13.3 1.0 C2A A:HEM400 4.3 16.3 1.0 C2C A:HEM400 4.3 13.1 1.0

Iron binding site 2 out of 4 in the Ccpa From G. Sulfurreducens, S134P 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, S134P Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:14.2 occ:1.00 FE A:HEM401 0.0 14.2 1.0 NA A:HEM401 2.0 14.2 1.0 NE2 A:HIS223 2.0 15.5 1.0 ND A:HEM401 2.0 13.3 1.0 NC A:HEM401 2.0 15.0 1.0 NB A:HEM401 2.1 14.5 1.0 SD A:MET297 2.3 14.9 1.0 CE1 A:HIS223 3.0 14.5 1.0 C4D A:HEM401 3.0 15.0 1.0 C1A A:HEM401 3.0 14.1 1.0 CD2 A:HIS223 3.0 13.9 1.0 C1D A:HEM401 3.0 14.9 1.0 C4A A:HEM401 3.0 14.1 1.0 C4C A:HEM401 3.1 16.1 1.0 C1C A:HEM401 3.1 16.5 1.0 C4B A:HEM401 3.1 16.6 1.0 C1B A:HEM401 3.1 17.3 1.0 CG A:MET297 3.4 15.8 1.0 CHA A:HEM401 3.4 13.2 1.0 CHD A:HEM401 3.4 15.7 1.0 CHC A:HEM401 3.4 16.4 1.0 CHB A:HEM401 3.4 16.4 1.0 CE A:MET297 3.4 16.5 1.0 ND1 A:HIS223 4.1 13.9 1.0 CG A:HIS223 4.2 15.6 1.0 C3D A:HEM401 4.2 14.2 1.0 CB A:MET297 4.2 16.6 1.0 C2A A:HEM401 4.2 14.3 1.0 C2D A:HEM401 4.3 14.6 1.0 C3A A:HEM401 4.3 14.3 1.0 C2C A:HEM401 4.3 16.0 1.0 C3C A:HEM401 4.3 17.9 1.0 C3B A:HEM401 4.3 16.9 1.0 C2B A:HEM401 4.3 16.5 1.0

Iron binding site 3 out of 4 in the Ccpa From G. Sulfurreducens, S134P Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ccpa From G. Sulfurreducens, S134P Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:11.4 occ:1.00 FE B:HEM400 0.0 11.4 1.0 NB B:HEM400 2.0 13.8 1.0 ND B:HEM400 2.0 12.8 1.0 NC B:HEM400 2.0 12.5 1.0 N3 B:IMD346 2.0 22.4 1.0 NA B:HEM400 2.0 14.7 1.0 NE2 B:HIS77 2.1 11.6 1.0 C4 B:IMD346 2.9 24.9 1.0 C1D B:HEM400 3.0 10.9 1.0 C1B B:HEM400 3.0 15.8 1.0 C4D B:HEM400 3.0 12.6 1.0 C4C B:HEM400 3.0 10.6 1.0 CD2 B:HIS77 3.0 11.7 1.0 C4B B:HEM400 3.0 13.1 1.0 C4A B:HEM400 3.0 17.5 1.0 CE1 B:HIS77 3.0 12.5 1.0 C1C B:HEM400 3.0 10.5 1.0 C1A B:HEM400 3.1 15.5 1.0 C2 B:IMD346 3.1 25.2 1.0 CHD B:HEM400 3.4 12.0 1.0 CHB B:HEM400 3.4 17.5 1.0 CHA B:HEM400 3.4 13.9 1.0 CHC B:HEM400 3.4 11.5 1.0 C5 B:IMD346 4.1 23.8 1.0 ND1 B:HIS77 4.1 12.8 1.0 CG B:HIS77 4.2 11.2 1.0 N1 B:IMD346 4.2 25.7 1.0 C3B B:HEM400 4.2 15.3 1.0 C3D B:HEM400 4.2 12.7 1.0 C2D B:HEM400 4.2 12.4 1.0 C2B B:HEM400 4.2 16.3 1.0 C3C B:HEM400 4.2 10.7 1.0 C2C B:HEM400 4.2 10.4 1.0 C3A B:HEM400 4.3 17.5 1.0 C2A B:HEM400 4.3 17.6 1.0

Iron binding site 4 out of 4 in the Ccpa From G. Sulfurreducens, S134P Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ccpa From G. Sulfurreducens, S134P Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:10.6 occ:1.00 FE B:HEM401 0.0 10.6 1.0 NA B:HEM401 2.0 11.5 1.0 NC B:HEM401 2.0 12.1 1.0 NB B:HEM401 2.0 10.3 1.0 ND B:HEM401 2.0 9.9 1.0 NE2 B:HIS223 2.1 12.7 1.0 SD B:MET297 2.4 11.7 1.0 C4C B:HEM401 3.0 11.4 1.0 C4A B:HEM401 3.0 11.2 1.0 C1D B:HEM401 3.0 12.3 1.0 C4D B:HEM401 3.0 11.7 1.0 C1B B:HEM401 3.0 11.2 1.0 C1A B:HEM401 3.0 10.2 1.0 C4B B:HEM401 3.1 11.7 1.0 CD2 B:HIS223 3.1 11.5 1.0 CE1 B:HIS223 3.1 11.4 1.0 C1C B:HEM401 3.1 11.3 1.0 CHD B:HEM401 3.4 13.1 1.0 CHB B:HEM401 3.4 11.3 1.0 CG B:MET297 3.4 12.6 1.0 CHA B:HEM401 3.4 10.4 1.0 CHC B:HEM401 3.4 12.4 1.0 CE B:MET297 3.5 11.4 1.0 ND1 B:HIS223 4.2 12.5 1.0 CG B:HIS223 4.2 11.1 1.0 CB B:MET297 4.2 12.8 1.0 C3A B:HEM401 4.2 11.3 1.0 C2D B:HEM401 4.2 12.9 1.0 C3C B:HEM401 4.2 11.6 1.0 C3D B:HEM401 4.2 11.9 1.0 C2B B:HEM401 4.3 11.9 1.0 C2A B:HEM401 4.3 10.8 1.0 C2C B:HEM401 4.3 11.9 1.0 C3B B:HEM401 4.3 12.1 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