Iron in PDB 2xif: The Structure of Ascorbate Peroxidase Compound II

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

The structure of The Structure of Ascorbate Peroxidase Compound II, PDB code: 2xif 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)	27.69 / 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 (%)	14.3 / 19.5

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

Potassium

(K)

1 atom

The binding sites of Iron atom in the The Structure of Ascorbate Peroxidase Compound II (pdb code 2xif). 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 II, PDB code: 2xif:

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


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 II within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1251 b:10.5 occ:1.00 FE A:HEM1251 0.0 10.5 1.0 O A:HOH2515 1.8 18.2 1.0 NC A:HEM1251 2.0 10.2 1.0 NE2 A:HIS163 2.0 11.8 1.0 NA A:HEM1251 2.0 11.3 1.0 ND A:HEM1251 2.0 10.0 1.0 NB A:HEM1251 2.1 9.9 1.0 CD2 A:HIS163 3.0 9.4 1.0 C4D A:HEM1251 3.0 11.8 1.0 C4C A:HEM1251 3.0 13.0 1.0 C1C A:HEM1251 3.0 13.1 1.0 C4B A:HEM1251 3.0 10.2 1.0 C1D A:HEM1251 3.0 12.2 1.0 C4A A:HEM1251 3.0 11.2 1.0 C1B A:HEM1251 3.0 12.2 1.0 CE1 A:HIS163 3.0 10.7 1.0 C1A A:HEM1251 3.1 14.2 1.0 CHC A:HEM1251 3.4 9.1 1.0 CHD A:HEM1251 3.4 9.7 1.0 CHB A:HEM1251 3.5 8.9 1.0 CHA A:HEM1251 3.6 13.4 1.0 O A:HOH2131 3.8 17.0 0.5 NE1 A:TRP41 4.0 13.0 1.0 NE A:ARG38 4.1 27.6 0.5 ND1 A:HIS163 4.1 13.8 1.0 CG A:HIS163 4.1 12.9 1.0 C2C A:HEM1251 4.2 7.1 1.0 C3D A:HEM1251 4.2 8.4 1.0 C2D A:HEM1251 4.2 9.8 1.0 C3A A:HEM1251 4.3 12.0 1.0 O A:HOH2136 4.3 20.8 1.0 C3C A:HEM1251 4.3 10.0 1.0 C2B A:HEM1251 4.3 13.0 1.0 C3B A:HEM1251 4.3 11.5 1.0 C2A A:HEM1251 4.3 9.6 1.0 NH2 A:ARG38 4.4 8.4 0.5 CD1 A:TRP41 4.5 10.9 1.0 CZ A:ARG38 4.7 26.2 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