Iron in PDB 4aam: Maca Wild-Type Mixed-Valence

All present enzymatic activity of Maca Wild-Type Mixed-Valence:
1.11.1.5;

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

Resolution Low / High (Å)	77.82 / 2.17
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.130, 47.540, 77.850, 90.00, 91.49, 90.00
R / Rfree (%)	16.237 / 23.937

The structure of Maca Wild-Type Mixed-Valence also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Maca Wild-Type Mixed-Valence (pdb code 4aam). 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 Mixed-Valence, PDB code: 4aam:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Maca Wild-Type Mixed-Valence


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 Mixed-Valence within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:11.5 occ:1.00 FE A:HEC400 0.0 11.5 1.0 ND A:HEC400 1.9 10.8 1.0 NA A:HEC400 2.0 11.3 1.0 NE2 A:HIS77 2.0 11.3 1.0 NC A:HEC400 2.1 11.0 1.0 NB A:HEC400 2.3 10.8 1.0 O A:HOH2137 2.6 26.5 1.0 C4D A:HEC400 2.9 11.1 1.0 C1D A:HEC400 2.9 10.8 1.0 CE1 A:HIS77 3.0 11.3 1.0 C1A A:HEC400 3.0 11.1 1.0 C4A A:HEC400 3.0 10.9 1.0 C4C A:HEC400 3.0 11.4 1.0 CD2 A:HIS77 3.1 10.6 1.0 C1C A:HEC400 3.1 11.2 1.0 C4B A:HEC400 3.1 10.9 1.0 C1B A:HEC400 3.2 10.9 1.0 CHA A:HEC400 3.4 11.1 1.0 CHD A:HEC400 3.4 10.8 1.0 CHB A:HEC400 3.4 10.5 1.0 CHC A:HEC400 3.5 10.7 1.0 NE2 A:GLN126 3.9 11.9 1.0 ND1 A:HIS77 4.1 10.9 1.0 C3A A:HEC400 4.2 10.8 1.0 C2A A:HEC400 4.2 10.6 1.0 CG A:HIS77 4.2 10.9 1.0 C3D A:HEC400 4.2 11.5 1.0 C2D A:HEC400 4.2 11.2 1.0 C3C A:HEC400 4.3 10.7 1.0 C2C A:HEC400 4.3 11.0 1.0 C3B A:HEC400 4.4 10.5 1.0 C2B A:HEC400 4.4 10.7 1.0 CG A:PRO130 4.5 9.8 1.0 CB A:PRO130 4.5 9.8 1.0 CD A:GLN126 5.0 11.2 1.0

Iron binding site 2 out of 2 in the Maca Wild-Type Mixed-Valence


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 Mixed-Valence within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:11.9 occ:1.00 FE A:HEC401 0.0 11.9 1.0 ND A:HEC401 1.9 11.9 1.0 NA A:HEC401 2.0 11.3 1.0 NE2 A:HIS223 2.1 11.2 1.0 NC A:HEC401 2.1 12.3 1.0 SD A:MET297 2.3 15.6 1.0 NB A:HEC401 2.3 11.6 1.0 C4D A:HEC401 2.9 11.9 1.0 C1D A:HEC401 3.0 12.1 1.0 CE1 A:HIS223 3.0 11.9 1.0 C4A A:HEC401 3.0 11.4 1.0 C1A A:HEC401 3.0 11.5 1.0 C4C A:HEC401 3.1 12.9 1.0 C1C A:HEC401 3.1 12.6 1.0 CD2 A:HIS223 3.1 12.3 1.0 C4B A:HEC401 3.2 11.8 1.0 C1B A:HEC401 3.2 11.5 1.0 CG A:MET297 3.3 13.9 1.0 CHA A:HEC401 3.4 11.4 1.0 CHD A:HEC401 3.4 12.5 1.0 CHC A:HEC401 3.5 12.2 1.0 CHB A:HEC401 3.5 10.8 1.0 CE A:MET297 3.6 13.5 1.0 ND1 A:HIS223 4.2 11.7 1.0 C3D A:HEC401 4.2 11.9 1.0 C2D A:HEC401 4.2 11.9 1.0 C3A A:HEC401 4.2 11.2 1.0 C2A A:HEC401 4.2 11.2 1.0 CG A:HIS223 4.3 12.6 1.0 CB A:MET297 4.3 13.8 1.0 C2C A:HEC401 4.3 12.8 1.0 C3C A:HEC401 4.3 12.9 1.0 C3B A:HEC401 4.4 11.6 1.0 C2B A:HEC401 4.4 11.1 1.0 CG A:GLN301 4.9 13.9 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