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Iron in PDB 9ifp: Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol

Enzymatic activity of Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol

All present enzymatic activity of Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol:
1.11.2.1;

Protein crystallography data

The structure of Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol, PDB code: 9ifp was solved by A.Fernandez-Garcia, J.Sanz-Aparicio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.93 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 271.298, 74.502, 106.15, 90, 111.8, 90
R / Rfree (%) 20 / 21.9

Other elements in 9ifp:

The structure of Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol (pdb code 9ifp). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol, PDB code: 9ifp:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 9ifp

Go back to Iron Binding Sites List in 9ifp
Iron binding site 1 out of 3 in the Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:32.6
occ:1.00
 FE A:HEM401 0.0 32.6 1.0
ND A:HEM401 1.9 31.9 1.0
NA A:HEM401 2.0 31.7 1.0
NC A:HEM401 2.1 32.7 1.0
NB A:HEM401 2.1 32.3 1.0
SG A:CYS52 2.4 33.7 1.0
C4D A:HEM401 2.9 31.2 1.0
C1D A:HEM401 3.0 33.4 1.0
C1A A:HEM401 3.0 32.0 1.0
C4C A:HEM401 3.0 35.4 1.0
C1B A:HEM401 3.0 34.1 1.0
C4A A:HEM401 3.0 33.8 1.0
C4B A:HEM401 3.0 33.4 1.0
C1C A:HEM401 3.1 33.7 1.0
CHA A:HEM401 3.4 32.1 1.0
CB A:CYS52 3.4 33.8 1.0
CHD A:HEM401 3.4 31.8 1.0
CHB A:HEM401 3.4 30.8 1.0
CHC A:HEM401 3.5 32.2 1.0
C3 A:3DM411 3.5 45.6 0.8
C4 A:3DM411 3.7 42.8 0.8
C2A A:HEM401 4.2 35.5 1.0
C3A A:HEM401 4.2 34.6 1.0
C3D A:HEM401 4.2 33.9 1.0
C2D A:HEM401 4.2 33.1 1.0
C3C A:HEM401 4.2 34.1 1.0
CA A:CYS52 4.2 34.2 1.0
C2B A:HEM401 4.3 34.2 1.0
C2C A:HEM401 4.3 34.0 1.0
C3B A:HEM401 4.3 33.6 1.0
C2 A:3DM411 4.7 41.0 0.8
C7 A:3DM411 4.8 41.4 0.8
CD A:PRO53 5.0 35.6 1.0
C A:CYS52 5.0 30.9 1.0
C5 A:3DM411 5.0 50.0 0.8

Iron binding site 2 out of 3 in 9ifp

Go back to Iron Binding Sites List in 9ifp
Iron binding site 2 out of 3 in the Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:35.6
occ:1.00
 FE B:HEM401 0.0 35.6 1.0
ND B:HEM401 1.9 38.8 1.0
NA B:HEM401 2.0 35.7 1.0
NC B:HEM401 2.0 35.9 1.0
NB B:HEM401 2.1 39.1 1.0
SG B:CYS52 2.4 37.1 1.0
C4D B:HEM401 2.9 34.1 1.0
C1D B:HEM401 3.0 34.1 1.0
C1A B:HEM401 3.0 34.8 1.0
C8 B:3DM418 3.0 51.1 0.8
C4C B:HEM401 3.0 42.0 1.0
C4B B:HEM401 3.0 38.5 1.0
C1C B:HEM401 3.1 39.5 1.0
C4A B:HEM401 3.1 40.1 1.0
C1B B:HEM401 3.1 37.4 1.0
CHA B:HEM401 3.4 35.3 1.0
CHD B:HEM401 3.4 37.6 1.0
CHC B:HEM401 3.4 37.9 1.0
CB B:CYS52 3.4 32.2 1.0
CHB B:HEM401 3.5 37.2 1.0
C3D B:HEM401 4.2 36.8 1.0
C2D B:HEM401 4.2 36.5 1.0
C2A B:HEM401 4.2 39.6 1.0
C3A B:HEM401 4.2 38.7 1.0
C3C B:HEM401 4.2 41.1 1.0
C2C B:HEM401 4.2 38.6 1.0
CA B:CYS52 4.3 35.6 1.0
C2B B:HEM401 4.3 38.3 1.0
C3B B:HEM401 4.3 36.6 1.0
O3 B:3DM418 4.4 52.2 0.8
CD B:PRO53 5.0 34.4 1.0
C B:CYS52 5.0 36.1 1.0

Iron binding site 3 out of 3 in 9ifp

Go back to Iron Binding Sites List in 9ifp
Iron binding site 3 out of 3 in the Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 2,6-Dimethoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe409

b:35.5
occ:1.00
 FE C:HEM409 0.0 35.5 1.0
ND C:HEM409 1.9 34.9 1.0
NA C:HEM409 2.0 33.5 1.0
NB C:HEM409 2.0 34.6 1.0
NC C:HEM409 2.0 35.0 1.0
SG C:CYS52 2.4 43.6 1.0
C4D C:HEM409 2.9 36.3 1.0
C1D C:HEM409 3.0 38.1 1.0
C1A C:HEM409 3.0 36.0 1.0
C4B C:HEM409 3.0 36.8 1.0
C4C C:HEM409 3.0 37.7 1.0
C1B C:HEM409 3.0 39.5 1.0
C4A C:HEM409 3.0 38.1 1.0
C1C C:HEM409 3.1 36.8 1.0
C3 C:3DM411 3.2 48.0 0.7
C4 C:3DM411 3.2 47.9 0.7
CHA C:HEM409 3.4 38.1 1.0
CHD C:HEM409 3.4 39.5 1.0
CB C:CYS52 3.4 39.5 1.0
CHC C:HEM409 3.5 35.5 1.0
CHB C:HEM409 3.5 35.8 1.0
C3D C:HEM409 4.2 35.7 1.0
C2A C:HEM409 4.2 36.3 1.0
C2D C:HEM409 4.2 36.8 1.0
CA C:CYS52 4.2 42.6 1.0
C3A C:HEM409 4.2 36.7 1.0
C3B C:HEM409 4.2 35.2 1.0
C3C C:HEM409 4.3 37.7 1.0
C2B C:HEM409 4.3 36.1 1.0
C2C C:HEM409 4.3 36.1 1.0
C5 C:3DM411 4.5 46.7 0.7
C2 C:3DM411 4.5 49.4 0.7
CD C:PRO53 4.9 42.5 1.0
C7 C:3DM411 4.9 51.1 0.7
C C:CYS52 4.9 33.5 1.0

Reference:

A.Fernandez-Garcia, J.Sanz-Aparicio. Unspecific Peroxygenase From Psathyrella Aberdarensis To Be Published.
Page generated: Sat Aug 23 03:19:09 2025

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