Iron in PDB 2xi6: The Structure of Ascorbate Peroxidase Compound I

All present enzymatic activity of The Structure of Ascorbate Peroxidase Compound I:
1.11.1.11;

The structure of The Structure of Ascorbate Peroxidase Compound I, PDB code: 2xi6 was solved by A.Gumiero, E.L.Raven, P.C.E.Moody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.65
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	82.030, 82.030, 75.190, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.6

The structure of The Structure of Ascorbate Peroxidase Compound I also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Iron atom in the The Structure of Ascorbate Peroxidase Compound I (pdb code 2xi6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the The Structure of Ascorbate Peroxidase Compound I, PDB code: 2xi6:

Iron binding site 1 out of 1 in the The Structure of Ascorbate Peroxidase Compound I


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of Ascorbate Peroxidase Compound I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe288 b:12.7 occ:1.00 FE A:HEM288 0.0 12.7 1.0 O A:HOH2456 1.7 17.6 1.0 NE2 A:HIS163 2.0 14.2 1.0 ND A:HEM288 2.1 10.1 1.0 NC A:HEM288 2.1 12.6 1.0 NA A:HEM288 2.1 14.7 1.0 NB A:HEM288 2.1 13.1 1.0 C1D A:HEM288 3.0 12.5 1.0 C1C A:HEM288 3.0 16.1 1.0 CD2 A:HIS163 3.0 13.3 1.0 C4D A:HEM288 3.0 13.1 1.0 C1A A:HEM288 3.0 15.0 1.0 C4C A:HEM288 3.0 14.9 1.0 C4B A:HEM288 3.1 11.2 1.0 CE1 A:HIS163 3.1 13.1 1.0 C1B A:HEM288 3.1 14.7 1.0 C4A A:HEM288 3.1 13.7 1.0 CHA A:HEM288 3.4 15.6 1.0 CHC A:HEM288 3.4 9.8 1.0 CHD A:HEM288 3.4 12.0 1.0 CHB A:HEM288 3.5 11.1 1.0 O A:HOH2106 3.9 19.7 0.5 NE1 A:TRP41 4.0 16.9 1.0 NE A:ARG38 4.1 28.6 0.5 C2D A:HEM288 4.2 11.4 1.0 CG A:HIS163 4.2 15.2 1.0 ND1 A:HIS163 4.2 14.8 1.0 O A:HOH2116 4.2 26.7 1.0 C3D A:HEM288 4.2 9.9 1.0 C2C A:HEM288 4.2 11.1 1.0 C3C A:HEM288 4.3 10.1 1.0 C2A A:HEM288 4.3 13.4 1.0 C3B A:HEM288 4.3 12.6 1.0 C3A A:HEM288 4.3 13.2 1.0 C2B A:HEM288 4.3 16.0 1.0 CD1 A:TRP41 4.5 12.2 1.0 NH2 A:ARG38 4.8 10.0 0.5 CD A:ARG38 4.9 17.3 0.5 CZ A:ARG38 4.9 26.9 0.5

A.Gumiero, C.L.Metcalfe, A.R.Pearson, E.L.Raven, P.C.Moody. Nature of the Ferryl Heme in Compounds I and II. J. Biol. Chem. V. 286 1260 2011.
ISSN: ESSN 1083-351X
PubMed: 21062738
DOI: 10.1074/JBC.M110.183483