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Iron in PDB 5oy1: Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Dmso

Enzymatic activity of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Dmso

All present enzymatic activity of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Dmso:
1.11.2.1;

Protein crystallography data

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Dmso, PDB code: 5oy1 was solved by M.Ramirez-Escudero, J.Sanz-Aparicio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.02 / 1.43
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.084, 58.074, 60.811, 90.00, 109.94, 90.00
R / Rfree (%) 15.2 / 17

Other elements in 5oy1:

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Dmso also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Dmso (pdb code 5oy1). 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 Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Dmso, PDB code: 5oy1:

Iron binding site 1 out of 1 in 5oy1

Go back to Iron Binding Sites List in 5oy1
Iron binding site 1 out of 1 in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Dmso


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Dmso within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:8.0
occ:1.00
 FE A:HEM401 0.0 8.0 1.0
ND A:HEM401 1.9 8.0 1.0
NA A:HEM401 2.0 8.0 1.0
NC A:HEM401 2.1 8.2 1.0
NB A:HEM401 2.1 8.3 1.0
SG A:CYS36 2.4 7.4 1.0
C1 A:DMS413 2.5 21.9 0.8
C1D A:HEM401 3.0 8.1 1.0
C4D A:HEM401 3.0 8.1 1.0
C4A A:HEM401 3.0 8.2 1.0
C1A A:HEM401 3.0 8.1 1.0
C4B A:HEM401 3.0 8.5 1.0
C1B A:HEM401 3.0 8.5 1.0
C4C A:HEM401 3.1 8.3 1.0
C1C A:HEM401 3.1 8.4 1.0
CHD A:HEM401 3.4 8.1 1.0
CHA A:HEM401 3.4 8.1 1.0
CHC A:HEM401 3.4 8.4 1.0
CHB A:HEM401 3.4 8.4 1.0
CB A:CYS36 3.5 7.4 1.0
S A:DMS413 3.8 24.4 0.8
C3D A:HEM401 4.2 8.1 1.0
C2D A:HEM401 4.2 8.1 1.0
C2A A:HEM401 4.2 8.3 1.0
C3A A:HEM401 4.2 8.2 1.0
CA A:CYS36 4.2 7.3 1.0
C2B A:HEM401 4.3 8.7 1.0
C2C A:HEM401 4.3 8.5 1.0
C3C A:HEM401 4.3 8.5 1.0
C3B A:HEM401 4.3 8.8 1.0
C2 A:DMS413 4.6 23.7 0.8
O A:DMS413 4.9 24.0 0.8
CD2 A:PHE199 4.9 9.3 1.0
O A:HOH501 4.9 23.1 1.0
C A:CYS36 5.0 7.2 1.0
CE2 A:PHE199 5.0 9.5 1.0

Reference:

M.Ramirez-Escudero, J.Sanz-Aparicio. Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Dmso To Be Published.
Page generated: Tue Aug 6 08:30:35 2024

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