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

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

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

Protein crystallography data

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate, PDB code: 5oxt 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) 45.23 / 1.42
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.999, 99.151, 83.890, 90.00, 103.27, 90.00
R / Rfree (%) 15 / 16.4

Other elements in 5oxt:

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

Magnesium (Mg) 3 atoms
Chlorine (Cl) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate (pdb code 5oxt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate, PDB code: 5oxt:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 5oxt

Go back to Iron Binding Sites List in 5oxt
Iron binding site 1 out of 3 in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate


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 Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1000

b:5.6
occ:1.00
 FE A:HEM1000 0.0 5.6 1.0
ND A:HEM1000 1.9 5.9 1.0
OXT A:ACT1008 1.9 14.2 0.9
NA A:HEM1000 2.0 5.7 1.0
NC A:HEM1000 2.1 5.9 1.0
NB A:HEM1000 2.1 5.9 1.0
SG A:CYS36 2.6 5.2 1.0
C4D A:HEM1000 2.9 5.9 1.0
C1D A:HEM1000 2.9 5.9 1.0
C1A A:HEM1000 2.9 5.7 1.0
C A:ACT1008 3.0 13.9 0.9
C4C A:HEM1000 3.0 6.0 1.0
C4A A:HEM1000 3.0 5.7 1.0
C1B A:HEM1000 3.1 6.0 1.0
C4B A:HEM1000 3.1 6.2 1.0
C1C A:HEM1000 3.1 6.1 1.0
CHA A:HEM1000 3.3 5.8 1.0
CHD A:HEM1000 3.4 6.0 1.0
CHB A:HEM1000 3.5 6.0 1.0
CHC A:HEM1000 3.5 6.2 1.0
CB A:CYS36 3.6 5.3 1.0
CH3 A:ACT1008 3.7 13.7 0.9
O A:ACT1008 4.0 14.3 0.9
C3D A:HEM1000 4.1 6.1 1.0
C2D A:HEM1000 4.1 6.1 1.0
C2A A:HEM1000 4.1 5.6 1.0
C3A A:HEM1000 4.2 5.7 1.0
C3C A:HEM1000 4.2 6.5 1.0
C2C A:HEM1000 4.3 6.3 1.0
C2B A:HEM1000 4.3 6.2 1.0
C3B A:HEM1000 4.3 6.4 1.0
CA A:CYS36 4.4 5.4 1.0
OE2 A:GLU196 4.6 7.2 1.0
CG A:GLU196 4.8 6.9 1.0
CE2 A:PHE199 4.8 7.5 1.0
CD2 A:PHE199 4.9 7.5 1.0
CD A:GLU196 5.0 7.0 1.0

Iron binding site 2 out of 3 in 5oxt

Go back to Iron Binding Sites List in 5oxt
Iron binding site 2 out of 3 in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:5.9
occ:1.00
 FE B:HEM402 0.0 5.9 1.0
O B:ACT409 1.9 13.9 0.9
ND B:HEM402 1.9 6.2 1.0
NA B:HEM402 2.0 6.2 1.0
NC B:HEM402 2.1 6.4 1.0
NB B:HEM402 2.1 6.4 1.0
SG B:CYS36 2.6 6.0 1.0
C4D B:HEM402 2.9 6.3 1.0
C1D B:HEM402 2.9 6.3 1.0
C1A B:HEM402 2.9 6.2 1.0
C B:ACT409 3.0 14.2 0.9
C4C B:HEM402 3.0 6.5 1.0
C4A B:HEM402 3.0 6.2 1.0
C1B B:HEM402 3.1 6.4 1.0
C4B B:HEM402 3.1 6.5 1.0
C1C B:HEM402 3.1 6.6 1.0
CHA B:HEM402 3.3 6.2 1.0
CHD B:HEM402 3.4 6.4 1.0
CHB B:HEM402 3.5 6.4 1.0
CHC B:HEM402 3.5 6.5 1.0
CB B:CYS36 3.6 6.2 1.0
CH3 B:ACT409 3.7 14.0 0.9
OXT B:ACT409 4.0 14.6 0.9
C3D B:HEM402 4.1 6.5 1.0
C2D B:HEM402 4.1 6.4 1.0
C2A B:HEM402 4.1 6.2 1.0
C3A B:HEM402 4.2 6.4 1.0
C3C B:HEM402 4.2 7.0 1.0
C2C B:HEM402 4.3 6.9 1.0
C2B B:HEM402 4.3 6.7 1.0
C3B B:HEM402 4.3 6.8 1.0
CA B:CYS36 4.4 6.3 1.0
OE2 B:GLU196 4.6 7.6 1.0
CG B:GLU196 4.8 7.0 1.0
CE2 B:PHE199 4.8 7.7 1.0
CD2 B:PHE199 4.9 7.5 1.0
CD B:GLU196 5.0 7.2 1.0

Iron binding site 3 out of 3 in 5oxt

Go back to Iron Binding Sites List in 5oxt
Iron binding site 3 out of 3 in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe1000

b:6.9
occ:1.00
 FE C:HEM1000 0.0 6.9 1.0
ND C:HEM1000 1.9 7.3 1.0
OXT C:ACT1007 1.9 15.3 0.9
NA C:HEM1000 2.0 7.2 1.0
NC C:HEM1000 2.1 7.1 1.0
NB C:HEM1000 2.1 7.4 1.0
SG C:CYS36 2.6 6.7 1.0
C4D C:HEM1000 2.9 7.4 1.0
C1D C:HEM1000 2.9 7.3 1.0
C1A C:HEM1000 2.9 7.1 1.0
C4C C:HEM1000 3.0 7.3 1.0
C4A C:HEM1000 3.0 7.2 1.0
C C:ACT1007 3.1 15.4 0.9
C1B C:HEM1000 3.1 7.5 1.0
C4B C:HEM1000 3.1 7.6 1.0
C1C C:HEM1000 3.1 7.3 1.0
CHA C:HEM1000 3.3 7.3 1.0
CHD C:HEM1000 3.4 7.4 1.0
CHB C:HEM1000 3.5 7.5 1.0
CHC C:HEM1000 3.5 7.4 1.0
CB C:CYS36 3.6 6.8 1.0
CH3 C:ACT1007 3.8 15.5 0.9
O C:ACT1007 4.0 15.8 0.9
C3D C:HEM1000 4.1 7.8 1.0
C2D C:HEM1000 4.1 7.7 1.0
C2A C:HEM1000 4.1 7.1 1.0
C3A C:HEM1000 4.2 7.3 1.0
C3C C:HEM1000 4.2 7.6 1.0
C2C C:HEM1000 4.3 7.5 1.0
C2B C:HEM1000 4.3 7.8 1.0
C3B C:HEM1000 4.3 7.8 1.0
CA C:CYS36 4.4 6.9 1.0
OE2 C:GLU196 4.6 9.0 1.0
CG C:GLU196 4.8 8.4 1.0
CE2 C:PHE199 4.8 8.7 1.0
CD2 C:PHE199 4.9 8.6 1.0
CD C:GLU196 5.0 8.6 1.0

Reference:

M.Ramirez-Escudero, J.Sanz-Aparicio. Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate To Be Published.
Page generated: Tue Aug 6 08:30:21 2024

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