Iron in PDB 2cl4: Ascorbate Peroxidase R172A Mutant

All present enzymatic activity of Ascorbate Peroxidase R172A Mutant:
1.11.1.11;

The structure of Ascorbate Peroxidase R172A Mutant, PDB code: 2cl4 was solved by L.Ghamsari, I.K.Macdonald, P.C.E.Moody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.80 / 1.80
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.656, 81.656, 75.056, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.9

The structure of Ascorbate Peroxidase R172A Mutant also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Ascorbate Peroxidase R172A Mutant (pdb code 2cl4). 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 Ascorbate Peroxidase R172A Mutant, PDB code: 2cl4:

Iron binding site 1 out of 1 in the Ascorbate Peroxidase R172A Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ascorbate Peroxidase R172A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe251 b:11.0 occ:1.00 FE X:HEM251 0.0 11.0 1.0 NA X:HEM251 2.0 11.0 1.0 NC X:HEM251 2.0 10.7 1.0 NE2 X:HIS163 2.0 10.4 1.0 NB X:HEM251 2.1 11.7 1.0 ND X:HEM251 2.1 10.4 1.0 O X:HOH2072 2.1 25.2 1.0 CD2 X:HIS163 3.0 9.5 1.0 C1A X:HEM251 3.1 11.6 1.0 C1C X:HEM251 3.1 11.9 1.0 C4B X:HEM251 3.1 11.6 1.0 C4C X:HEM251 3.1 10.8 1.0 C1D X:HEM251 3.1 10.4 1.0 C4A X:HEM251 3.1 11.4 1.0 C4D X:HEM251 3.1 10.7 1.0 C1B X:HEM251 3.1 11.9 1.0 CE1 X:HIS163 3.1 10.8 1.0 CHC X:HEM251 3.4 10.9 1.0 CHD X:HEM251 3.4 10.6 1.0 CHA X:HEM251 3.4 10.6 1.0 CHB X:HEM251 3.5 11.5 1.0 NE1 X:TRP41 4.0 13.5 1.0 CG X:HIS163 4.1 10.0 1.0 ND1 X:HIS163 4.2 11.4 1.0 C2A X:HEM251 4.3 11.9 1.0 C3B X:HEM251 4.3 12.8 1.0 C3A X:HEM251 4.3 12.0 1.0 C2C X:HEM251 4.3 10.6 1.0 C2D X:HEM251 4.3 10.5 1.0 O X:HOH2076 4.3 21.4 1.0 C2B X:HEM251 4.3 12.0 1.0 C3C X:HEM251 4.3 10.7 1.0 C3D X:HEM251 4.3 11.5 1.0 O X:HOH2071 4.4 24.0 1.0 CD1 X:TRP41 4.5 14.1 1.0 CH2 X:TRP179 5.0 12.4 1.0

I.K.Macdonald, S.K.Badyal, L.Ghamsari, P.C.E.Moody, E.L.Raven. Interaction of Ascorbate Peroxidase with Substrates: A Mechanistic and Structural Analysis. Biochemistry V. 45 7808 2006.
ISSN: ISSN 0006-2960
PubMed: 16784232
DOI: 10.1021/BI0606849