Iron in PDB 1apx: Crystal Structure of Recombinant Ascorbate Peroxidase

All present enzymatic activity of Crystal Structure of Recombinant Ascorbate Peroxidase:
1.11.1.11;

The structure of Crystal Structure of Recombinant Ascorbate Peroxidase, PDB code: 1apx was solved by W.R.Patterson, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	132.400, 53.000, 170.600, 90.00, 107.10, 90.00
R / Rfree (%)	19.3 / n/a

The structure of Crystal Structure of Recombinant Ascorbate Peroxidase also contains other interesting chemical elements:

Potassium

(K)

4 atoms

The binding sites of Iron atom in the Crystal Structure of Recombinant Ascorbate Peroxidase (pdb code 1apx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Recombinant Ascorbate Peroxidase, PDB code: 1apx:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Recombinant Ascorbate Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Recombinant Ascorbate Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe251 b:10.1 occ:1.00 FE A:HEM251 0.0 10.1 1.0 NA A:HEM251 2.0 9.3 1.0 ND A:HEM251 2.0 3.7 1.0 NB A:HEM251 2.0 5.1 1.0 NC A:HEM251 2.0 3.5 1.0 NE2 A:HIS163 2.2 4.7 1.0 O A:HOH322 2.7 32.3 1.0 C1A A:HEM251 3.0 11.2 1.0 C4D A:HEM251 3.0 3.2 1.0 C4B A:HEM251 3.1 3.3 1.0 C4A A:HEM251 3.1 10.9 1.0 CD2 A:HIS163 3.1 3.5 1.0 C1C A:HEM251 3.1 6.4 1.0 C1D A:HEM251 3.1 3.0 1.0 C4C A:HEM251 3.1 2.0 1.0 C1B A:HEM251 3.1 2.0 1.0 CE1 A:HIS163 3.2 2.0 1.0 CHA A:HEM251 3.4 2.0 1.0 CHC A:HEM251 3.4 2.7 1.0 CHD A:HEM251 3.4 3.0 1.0 CHB A:HEM251 3.5 4.4 1.0 C2A A:HEM251 4.2 12.0 1.0 NE1 A:TRP41 4.2 10.3 1.0 CG A:HIS163 4.2 4.7 1.0 C3A A:HEM251 4.3 11.0 1.0 O A:HOH849 4.3 30.1 1.0 C3D A:HEM251 4.3 4.1 1.0 C2D A:HEM251 4.3 2.0 1.0 C3B A:HEM251 4.3 2.0 1.0 C2B A:HEM251 4.3 2.0 1.0 C2C A:HEM251 4.3 2.0 1.0 C3C A:HEM251 4.3 2.0 1.0 ND1 A:HIS163 4.3 2.0 1.0 CD1 A:TRP41 4.6 14.7 1.0 O A:HOH321 4.9 11.5 1.0 CH2 A:TRP179 5.0 5.0 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Recombinant Ascorbate Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Recombinant Ascorbate Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe251 b:21.0 occ:1.00 FE B:HEM251 0.0 21.0 1.0 NB B:HEM251 2.0 16.6 1.0 NA B:HEM251 2.0 17.4 1.0 NC B:HEM251 2.0 17.7 1.0 ND B:HEM251 2.0 17.1 1.0 NE2 B:HIS163 2.2 10.8 1.0 C1B B:HEM251 3.0 18.0 1.0 C4B B:HEM251 3.1 11.9 1.0 C4A B:HEM251 3.1 16.7 1.0 C1D B:HEM251 3.1 14.7 1.0 C4C B:HEM251 3.1 14.1 1.0 C1C B:HEM251 3.1 15.9 1.0 C1A B:HEM251 3.1 15.7 1.0 C4D B:HEM251 3.1 13.7 1.0 O B:HOH266 3.1 18.6 1.0 CD2 B:HIS163 3.1 4.3 1.0 CE1 B:HIS163 3.2 9.2 1.0 CHB B:HEM251 3.4 15.4 1.0 CHC B:HEM251 3.4 11.1 1.0 CHD B:HEM251 3.4 17.5 1.0 CHA B:HEM251 3.5 17.6 1.0 NE1 B:TRP41 4.3 11.6 1.0 C2B B:HEM251 4.3 16.2 1.0 CG B:HIS163 4.3 4.8 1.0 C3B B:HEM251 4.3 13.4 1.0 C2C B:HEM251 4.3 13.7 1.0 C3C B:HEM251 4.3 16.1 1.0 C2D B:HEM251 4.3 15.7 1.0 C3D B:HEM251 4.3 11.6 1.0 C3A B:HEM251 4.3 14.2 1.0 C2A B:HEM251 4.3 14.8 1.0 ND1 B:HIS163 4.3 6.8 1.0 CD1 B:TRP41 4.6 9.5 1.0 O B:HOH512 4.9 9.7 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Recombinant Ascorbate Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Recombinant Ascorbate Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe251 b:14.9 occ:1.00 FE C:HEM251 0.0 14.9 1.0 NB C:HEM251 2.0 8.4 1.0 NC C:HEM251 2.0 5.0 1.0 NA C:HEM251 2.0 11.7 1.0 ND C:HEM251 2.0 9.4 1.0 NE2 C:HIS163 2.2 7.5 1.0 C1B C:HEM251 3.0 8.6 1.0 C4B C:HEM251 3.0 7.0 1.0 C4C C:HEM251 3.1 5.5 1.0 C4A C:HEM251 3.1 6.6 1.0 C1D C:HEM251 3.1 7.0 1.0 C1C C:HEM251 3.1 7.1 1.0 C1A C:HEM251 3.1 9.9 1.0 C4D C:HEM251 3.1 8.0 1.0 CE1 C:HIS163 3.1 10.2 1.0 O C:HOH309 3.1 18.0 1.0 CD2 C:HIS163 3.2 9.3 1.0 CHB C:HEM251 3.4 7.1 1.0 CHD C:HEM251 3.4 3.9 1.0 CHC C:HEM251 3.4 10.7 1.0 CHA C:HEM251 3.5 8.6 1.0 NE1 C:TRP41 4.2 8.4 1.0 C3B C:HEM251 4.2 4.4 1.0 C2B C:HEM251 4.3 5.5 1.0 ND1 C:HIS163 4.3 7.9 1.0 C2D C:HEM251 4.3 11.7 1.0 C3C C:HEM251 4.3 7.5 1.0 C2C C:HEM251 4.3 8.1 1.0 C3D C:HEM251 4.3 8.9 1.0 C3A C:HEM251 4.3 6.7 1.0 CG C:HIS163 4.3 8.9 1.0 C2A C:HEM251 4.3 11.1 1.0 CD1 C:TRP41 4.5 11.1 1.0 O C:HOH270 4.8 12.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Recombinant Ascorbate Peroxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Recombinant Ascorbate Peroxidase within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe251 b:15.2 occ:1.00 FE D:HEM251 0.0 15.2 1.0 NC D:HEM251 2.0 9.1 1.0 NB D:HEM251 2.0 10.7 1.0 NA D:HEM251 2.0 16.5 1.0 ND D:HEM251 2.0 10.2 1.0 NE2 D:HIS163 2.2 14.2 1.0 O D:HOH822 2.6 19.9 1.0 CD2 D:HIS163 3.0 12.6 1.0 C4B D:HEM251 3.0 9.9 1.0 C1C D:HEM251 3.0 9.7 1.0 C4C D:HEM251 3.1 10.7 1.0 C1D D:HEM251 3.1 9.5 1.0 C1A D:HEM251 3.1 14.9 1.0 C1B D:HEM251 3.1 9.7 1.0 C4A D:HEM251 3.1 13.0 1.0 C4D D:HEM251 3.1 4.4 1.0 CE1 D:HIS163 3.3 12.1 1.0 CHC D:HEM251 3.4 12.0 1.0 CHD D:HEM251 3.4 10.6 1.0 CHA D:HEM251 3.4 10.6 1.0 CHB D:HEM251 3.5 8.9 1.0 NE1 D:TRP41 4.1 12.0 1.0 CG D:HIS163 4.2 12.2 1.0 C2C D:HEM251 4.3 8.3 1.0 C3B D:HEM251 4.3 10.2 1.0 C2D D:HEM251 4.3 8.6 1.0 C3D D:HEM251 4.3 6.4 1.0 C3C D:HEM251 4.3 10.8 1.0 C2B D:HEM251 4.3 10.8 1.0 C2A D:HEM251 4.3 11.3 1.0 C3A D:HEM251 4.3 15.2 1.0 ND1 D:HIS163 4.4 11.3 1.0 CD1 D:TRP41 4.4 7.7 1.0 O D:HOH441 4.4 26.9 1.0 CH2 D:TRP179 4.9 13.7 1.0

W.R.Patterson, T.L.Poulos. Crystal Structure of Recombinant Pea Cytosolic Ascorbate Peroxidase. Biochemistry V. 34 4331 1995.
ISSN: ISSN 0006-2960
PubMed: 7703247
DOI: 10.1021/BI00013A023