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Iron in PDB 9ifq: Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 5-Hydroxymethylfurfural

Enzymatic activity of Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 5-Hydroxymethylfurfural

All present enzymatic activity of Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 5-Hydroxymethylfurfural:
1.11.2.1;

Protein crystallography data

The structure of Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 5-Hydroxymethylfurfural, PDB code: 9ifq 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) 48.35 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 272.213, 75.112, 105.385, 90, 111.68, 90
R / Rfree (%) 19.5 / 22.1

Other elements in 9ifq:

The structure of Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 5-Hydroxymethylfurfural 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 5-Hydroxymethylfurfural (pdb code 9ifq). 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 5-Hydroxymethylfurfural, PDB code: 9ifq:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 9ifq

Go back to Iron Binding Sites List in 9ifq
Iron binding site 1 out of 3 in the Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 5-Hydroxymethylfurfural


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 5-Hydroxymethylfurfural within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:25.9
occ:1.00
 FE A:HEM401 0.0 25.9 1.0
ND A:HEM401 1.9 24.6 1.0
NA A:HEM401 2.0 26.0 1.0
NB A:HEM401 2.0 25.2 1.0
NC A:HEM401 2.1 24.4 1.0
OXT A:FUX409 2.2 31.5 1.0
SG A:CYS52 2.3 27.9 1.0
C4D A:HEM401 2.9 23.2 1.0
C1D A:HEM401 2.9 26.6 1.0
C1A A:HEM401 3.0 26.1 1.0
C1B A:HEM401 3.0 29.0 1.0
C4B A:HEM401 3.0 26.9 1.0
C4A A:HEM401 3.0 28.9 1.0
C4C A:HEM401 3.0 26.8 1.0
C1C A:HEM401 3.1 26.4 1.0
C1 A:FUX409 3.3 37.5 1.0
CHA A:HEM401 3.4 27.5 1.0
CHD A:HEM401 3.4 24.9 1.0
CHB A:HEM401 3.4 27.2 1.0
CB A:CYS52 3.4 28.0 1.0
CHC A:HEM401 3.5 26.6 1.0
C2A A:HEM401 4.2 29.1 1.0
C3D A:HEM401 4.2 26.7 1.0
C3A A:HEM401 4.2 29.3 1.0
C2D A:HEM401 4.2 26.8 1.0
C2B A:HEM401 4.2 27.4 1.0
C3C A:HEM401 4.2 27.2 1.0
C3B A:HEM401 4.2 28.9 1.0
CA A:CYS52 4.3 29.6 1.0
C2C A:HEM401 4.3 28.5 1.0
C2 A:FUX409 4.6 32.4 1.0
OE2 A:GLU212 4.7 38.2 1.0

Iron binding site 2 out of 3 in 9ifq

Go back to Iron Binding Sites List in 9ifq
Iron binding site 2 out of 3 in the Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 5-Hydroxymethylfurfural


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 5-Hydroxymethylfurfural within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe414

b:28.8
occ:1.00
 FE B:HEM414 0.0 28.8 1.0
ND B:HEM414 1.9 30.1 1.0
NA B:HEM414 2.0 30.1 1.0
NC B:HEM414 2.0 31.2 1.0
NB B:HEM414 2.1 32.1 1.0
OXT B:FUX412 2.1 35.4 1.0
SG B:CYS52 2.3 32.0 1.0
C4D B:HEM414 2.9 28.8 1.0
C1D B:HEM414 2.9 30.1 1.0
C1A B:HEM414 3.0 30.3 1.0
C4C B:HEM414 3.0 34.6 1.0
C4B B:HEM414 3.0 33.2 1.0
C4A B:HEM414 3.1 34.5 1.0
C1B B:HEM414 3.1 33.2 1.0
C1C B:HEM414 3.1 32.5 1.0
C1 B:FUX412 3.1 42.7 1.0
CHA B:HEM414 3.4 29.6 1.0
CHD B:HEM414 3.4 32.7 1.0
CB B:CYS52 3.4 32.1 1.0
CHC B:HEM414 3.5 31.5 1.0
CHB B:HEM414 3.5 32.2 1.0
C2A B:HEM414 4.2 30.4 1.0
C2D B:HEM414 4.2 30.4 1.0
C3D B:HEM414 4.2 29.8 1.0
C3A B:HEM414 4.2 32.4 1.0
C3C B:HEM414 4.2 31.7 1.0
C2C B:HEM414 4.2 32.4 1.0
CA B:CYS52 4.3 31.2 1.0
C2B B:HEM414 4.3 35.0 1.0
C3B B:HEM414 4.3 35.2 1.0
C2 B:FUX412 4.5 40.3 1.0
OE2 B:GLU212 4.6 43.3 1.0

Iron binding site 3 out of 3 in 9ifq

Go back to Iron Binding Sites List in 9ifq
Iron binding site 3 out of 3 in the Unspecific Peroxygenase From Psathyrella Aberdarensis (Pabupo-II) in Complex with 5-Hydroxymethylfurfural


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 5-Hydroxymethylfurfural within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe414

b:32.1
occ:1.00
 FE C:HEM414 0.0 32.1 1.0
ND C:HEM414 1.9 33.3 1.0
NA C:HEM414 2.0 34.9 1.0
NB C:HEM414 2.0 31.2 1.0
NC C:HEM414 2.1 31.6 1.0
OXT C:FUX412 2.2 40.9 1.0
SG C:CYS52 2.3 35.7 1.0
C4D C:HEM414 2.9 35.9 1.0
C1D C:HEM414 2.9 38.7 1.0
C1A C:HEM414 3.0 32.8 1.0
C1B C:HEM414 3.0 36.1 1.0
C4B C:HEM414 3.0 32.6 1.0
C4C C:HEM414 3.1 36.5 1.0
C4A C:HEM414 3.1 35.1 1.0
C1C C:HEM414 3.1 30.1 1.0
CHA C:HEM414 3.3 34.5 1.0
C1 C:FUX412 3.3 44.7 1.0
CB C:CYS52 3.4 38.1 1.0
CHD C:HEM414 3.4 35.2 1.0
CHC C:HEM414 3.5 31.2 1.0
CHB C:HEM414 3.5 33.9 1.0
C3D C:HEM414 4.2 35.6 1.0
C2D C:HEM414 4.2 34.0 1.0
C2A C:HEM414 4.2 35.3 1.0
CA C:CYS52 4.2 36.0 1.0
C3A C:HEM414 4.3 31.9 1.0
C3C C:HEM414 4.3 36.1 1.0
C2B C:HEM414 4.3 32.6 1.0
C3B C:HEM414 4.3 31.8 1.0
C2C C:HEM414 4.3 33.1 1.0
OE2 C:GLU212 4.6 41.6 1.0
C2 C:FUX412 4.7 42.5 1.0
C C:CYS52 5.0 29.4 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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