Iron in PDB 4aan: Maca Wild-Type Fully Reduced

All present enzymatic activity of Maca Wild-Type Fully Reduced:
1.11.1.5;

The structure of Maca Wild-Type Fully Reduced, PDB code: 4aan was solved by J.Seidel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.92 / 1.22
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.600, 46.970, 77.930, 90.00, 90.94, 90.00
R / Rfree (%)	14.69 / 16.624

The structure of Maca Wild-Type Fully Reduced also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Maca Wild-Type Fully Reduced (pdb code 4aan). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Maca Wild-Type Fully Reduced, PDB code: 4aan:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Maca Wild-Type Fully Reduced


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Maca Wild-Type Fully Reduced within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:5.8 occ:1.00 FE A:HEC400 0.0 5.8 1.0 ND A:HEC400 2.0 6.1 1.0 NA A:HEC400 2.0 5.9 1.0 NC A:HEC400 2.0 5.8 1.0 NE2 A:HIS77 2.0 5.8 1.0 NB A:HEC400 2.0 5.4 1.0 O A:HOH2154 2.1 11.8 1.0 C1D A:HEC400 3.0 6.5 1.0 C4D A:HEC400 3.0 6.0 1.0 CE1 A:HIS77 3.0 6.2 1.0 C4A A:HEC400 3.0 6.4 1.0 C1B A:HEC400 3.0 5.4 1.0 CD2 A:HIS77 3.0 5.4 1.0 C1A A:HEC400 3.0 6.7 1.0 C1C A:HEC400 3.0 5.7 1.0 C4C A:HEC400 3.0 5.8 1.0 C4B A:HEC400 3.0 5.3 1.0 CHD A:HEC400 3.3 6.7 1.0 CHA A:HEC400 3.4 6.5 1.0 CHB A:HEC400 3.4 6.2 1.0 CHC A:HEC400 3.4 5.7 1.0 NE2 A:GLN126 4.0 8.0 1.0 O A:HOH2161 4.1 15.8 1.0 ND1 A:HIS77 4.1 6.3 1.0 CG A:HIS77 4.2 5.4 1.0 C3D A:HEC400 4.2 6.5 1.0 C2A A:HEC400 4.2 6.1 1.0 C2D A:HEC400 4.2 7.1 1.0 C2C A:HEC400 4.2 5.8 1.0 C3A A:HEC400 4.2 5.9 1.0 C3C A:HEC400 4.3 6.1 1.0 C3B A:HEC400 4.3 6.2 1.0 C2B A:HEC400 4.3 6.0 1.0 CG A:PRO130 4.5 11.0 1.0 CB A:PRO130 4.6 9.1 1.0

Iron binding site 2 out of 2 in the Maca Wild-Type Fully Reduced


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Maca Wild-Type Fully Reduced within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:6.7 occ:1.00 FE A:HEC401 0.0 6.7 1.0 ND A:HEC401 2.0 6.3 1.0 NA A:HEC401 2.0 6.4 1.0 NC A:HEC401 2.0 6.6 1.0 NE2 A:HIS223 2.1 6.6 1.0 NB A:HEC401 2.1 7.1 1.0 SD A:MET297 2.3 7.2 0.8 C4A A:HEC401 3.0 6.7 1.0 CE1 A:HIS223 3.0 6.5 1.0 C1D A:HEC401 3.0 7.2 1.0 C4D A:HEC401 3.0 6.9 1.0 C1A A:HEC401 3.0 6.2 1.0 C4C A:HEC401 3.1 7.2 1.0 C4B A:HEC401 3.1 6.8 1.0 C1C A:HEC401 3.1 6.9 1.0 C1B A:HEC401 3.1 7.0 1.0 CD2 A:HIS223 3.1 7.3 1.0 CG A:MET297 3.4 7.2 0.8 CHC A:HEC401 3.4 6.8 1.0 CHA A:HEC401 3.4 6.4 1.0 CHB A:HEC401 3.4 7.0 1.0 CHD A:HEC401 3.4 7.0 1.0 CE A:MET297 3.4 7.6 0.8 CE A:MET297 3.7 7.2 0.2 CG A:MET297 3.9 7.1 0.2 CB A:MET297 4.1 7.9 0.2 ND1 A:HIS223 4.2 7.2 1.0 CG A:HIS223 4.2 7.1 1.0 C3C A:HEC401 4.2 7.7 1.0 C3A A:HEC401 4.2 6.7 1.0 C3D A:HEC401 4.3 6.9 1.0 C2A A:HEC401 4.3 6.3 1.0 C2C A:HEC401 4.3 7.5 1.0 C2D A:HEC401 4.3 7.2 1.0 C3B A:HEC401 4.3 7.5 1.0 C2B A:HEC401 4.3 7.2 1.0 CB A:MET297 4.3 7.8 0.8 SD A:MET297 4.7 7.8 0.2 CG A:GLN301 5.0 8.3 1.0

J.Seidel, M.Hoffmann, K.E.Ellis, A.Seidel, T.Spatzal, S.Gerhardt, S.J.Elliott, O.Einsle. Maca Is A Second Cytochrome C Peroxidase of Geobacter Sulfurreducens. Biochemistry V. 51 2747 2012.
ISSN: ISSN 0006-2960
PubMed: 22417533
DOI: 10.1021/BI300249U