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Iron in PDB 7pn9: Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Lauric Acid

Enzymatic activity of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Lauric Acid

All present enzymatic activity of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Lauric Acid:
1.11.2.1;

Protein crystallography data

The structure of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Lauric Acid, PDB code: 7pn9 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) 48.16 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.088, 57.783, 60.859, 90, 109.5, 90
R / Rfree (%) 24.7 / 27.7

Other elements in 7pn9:

The structure of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Lauric Acid 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 Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Lauric Acid (pdb code 7pn9). 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 Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Lauric Acid, PDB code: 7pn9:

Iron binding site 1 out of 1 in 7pn9

Go back to Iron Binding Sites List in 7pn9
Iron binding site 1 out of 1 in the Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Lauric Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Lauric Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:11.2
occ:1.00
 FE A:HEM401 0.0 11.2 1.0
ND A:HEM401 1.9 10.6 1.0
NA A:HEM401 2.0 10.7 1.0
NC A:HEM401 2.1 10.7 1.0
NB A:HEM401 2.1 10.5 1.0
SG A:CYS36 2.5 10.3 1.0
O A:HOH644 2.8 34.5 1.0
C4D A:HEM401 2.9 10.7 1.0
C1D A:HEM401 2.9 10.6 1.0
C1A A:HEM401 3.0 11.0 1.0
C4C A:HEM401 3.0 10.2 1.0
C4A A:HEM401 3.0 10.9 1.0
C1B A:HEM401 3.1 11.2 1.0
C4B A:HEM401 3.1 10.8 1.0
C1C A:HEM401 3.1 10.6 1.0
CHD A:HEM401 3.3 10.6 1.0
CHA A:HEM401 3.3 10.6 1.0
CHB A:HEM401 3.4 11.0 1.0
CHC A:HEM401 3.5 10.8 1.0
CB A:CYS36 3.5 9.9 1.0
C2A A:HEM401 4.1 10.8 1.0
C3A A:HEM401 4.2 10.9 1.0
C3D A:HEM401 4.2 10.6 1.0
C2D A:HEM401 4.2 10.4 1.0
C3C A:HEM401 4.2 10.8 1.0
CA A:CYS36 4.2 10.0 1.0
C2C A:HEM401 4.3 10.6 1.0
C2B A:HEM401 4.3 10.6 1.0
C3B A:HEM401 4.3 10.8 1.0
CD2 A:PHE199 4.7 12.4 1.0
CE2 A:PHE199 4.8 12.0 1.0
CG A:GLU196 4.9 17.7 1.0
C A:CYS36 5.0 9.5 1.0

Reference:

P.G.De Santos, A.Gonzalez-Benjumea, A.Fernandez-Garcia, C.Aranda, Y.Wu, A.But, P.Molina-Espeja, D.M.Mate, D.Gonzalez-Perez, W.Zhang, J.Kiebist, K.Scheibner, M.Hofrichter, K.Swiderek, V.Moliner, J.Sanz-Aparicio, F.Hollmann, A.Gutierrez, M.Alcalde. Engineering A Highly Regioselective Fungal Peroxygenase For the Synthesis of Hydroxy Fatty Acids Angew.Chem.Int.Ed.Engl. 2022.
ISSN: ESSN 1521-3773
DOI: 10.1002/ANIE.202217372
Page generated: Thu Aug 7 02:54:34 2025

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