Iron in PDB 2y6a: Ascorbate Peroxidase R38A Mutant

All present enzymatic activity of Ascorbate Peroxidase R38A Mutant:
1.11.1.11;

The structure of Ascorbate Peroxidase R38A Mutant, PDB code: 2y6a was solved by C.L.Metcalfe, I.Efimov, 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)	46.13 / 2.00
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	82.707, 82.707, 75.026, 90.00, 90.00, 90.00
R / Rfree (%)	13 / 20.8

The binding sites of Iron atom in the Ascorbate Peroxidase R38A Mutant (pdb code 2y6a). 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 R38A Mutant, PDB code: 2y6a:

Iron binding site 1 out of 1 in the Ascorbate Peroxidase R38A 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 R38A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe251 b:12.1 occ:1.00 FE A:HEM251 0.0 12.1 1.0 NE2 A:HIS163 2.0 6.8 1.0 NB A:HEM251 2.0 11.2 1.0 NC A:HEM251 2.0 10.4 1.0 NA A:HEM251 2.1 11.2 1.0 ND A:HEM251 2.1 10.3 1.0 O A:HOH2369 2.2 31.6 1.0 CD2 A:HIS163 3.0 5.5 1.0 C4B A:HEM251 3.0 13.7 1.0 CE1 A:HIS163 3.0 8.5 1.0 C1C A:HEM251 3.1 11.7 1.0 C1B A:HEM251 3.1 12.2 1.0 C1A A:HEM251 3.1 13.3 1.0 C4C A:HEM251 3.1 12.7 1.0 C4A A:HEM251 3.1 12.7 1.0 C1D A:HEM251 3.1 11.1 1.0 C4D A:HEM251 3.1 10.8 1.0 CHC A:HEM251 3.4 11.8 1.0 CHA A:HEM251 3.5 9.7 1.0 CHB A:HEM251 3.5 10.2 1.0 CHD A:HEM251 3.5 9.8 1.0 CG A:HIS163 4.1 6.7 1.0 ND1 A:HIS163 4.1 7.7 1.0 O A:HOH2086 4.1 25.8 1.0 O A:HOH2085 4.1 42.0 1.0 NE1 A:TRP41 4.2 15.6 1.0 C3B A:HEM251 4.2 13.3 1.0 C2B A:HEM251 4.3 12.1 1.0 C2C A:HEM251 4.3 10.1 1.0 C2A A:HEM251 4.3 11.9 1.0 C3C A:HEM251 4.3 11.3 1.0 C3A A:HEM251 4.3 11.1 1.0 C2D A:HEM251 4.3 11.2 1.0 C3D A:HEM251 4.3 8.8 1.0 O A:HOH2087 4.6 35.6 1.0 CD1 A:TRP41 4.7 16.5 1.0

I.Efimov, S.K.Badyal, C.L.Metcalfe, I.Macdonald, A.Gumiero, E.L.Raven, P.C.E.Moody. Proton Delivery to Ferryl Heme in A Heme Peroxidase: Enzymatic Use of the Grotthuss Mechanism. J.Am.Chem.Soc. V. 133 15376 2011.
ISSN: ISSN 0002-7863
PubMed: 21819069
DOI: 10.1021/JA2007017