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Iron in PDB 6eky: Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (II)

Enzymatic activity of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (II)

All present enzymatic activity of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (II):
1.11.2.1;

Protein crystallography data

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (II), PDB code: 6eky 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) 48.06 / 1.23
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.180, 57.969, 60.975, 90.00, 110.13, 90.00
R / Rfree (%) 16 / 16.9

Other elements in 6eky:

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (II) 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 1-Naphthol (II) (pdb code 6eky). 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 1-Naphthol (II), PDB code: 6eky:

Iron binding site 1 out of 1 in 6eky

Go back to Iron Binding Sites List in 6eky
Iron binding site 1 out of 1 in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (II)


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 1-Naphthol (II) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:9.4
occ:1.00
 FE A:HEM401 0.0 9.4 1.0
ND A:HEM401 1.9 9.1 1.0
O A:HOH504 1.9 23.8 1.0
NA A:HEM401 2.0 9.1 1.0
NC A:HEM401 2.1 9.1 1.0
NB A:HEM401 2.1 9.4 1.0
SG A:CYS36 2.6 9.5 1.0
C4D A:HEM401 2.9 9.3 1.0
C1D A:HEM401 2.9 8.7 1.0
C1A A:HEM401 2.9 8.9 1.0
C4C A:HEM401 3.0 9.1 1.0
C4A A:HEM401 3.0 9.0 1.0
C1B A:HEM401 3.1 10.0 1.0
C4B A:HEM401 3.1 9.7 1.0
C1C A:HEM401 3.1 9.7 1.0
CHA A:HEM401 3.3 9.0 1.0
CHD A:HEM401 3.4 9.0 1.0
C3 A:1NP413 3.4 21.8 0.2
C6 A:1NP413 3.4 18.6 0.2
C7 A:1NP413 3.4 19.1 0.2
CHB A:HEM401 3.5 9.1 1.0
C2 A:1NP413 3.5 22.4 0.2
CHC A:HEM401 3.5 10.0 1.0
CB A:CYS36 3.6 9.0 1.0
C2 A:1NP413 4.0 21.4 0.2
C3D A:HEM401 4.1 9.3 1.0
C2D A:HEM401 4.1 8.8 1.0
C6 A:1NP413 4.1 18.6 0.2
C5 A:1NP413 4.1 19.9 0.2
C2A A:HEM401 4.1 9.4 1.0
O1 A:1NP413 4.1 22.6 0.2
C7 A:1NP413 4.2 19.1 0.2
C3A A:HEM401 4.2 8.8 1.0
C4 A:1NP413 4.2 22.0 0.2
C1 A:1NP413 4.2 22.8 0.2
C8 A:1NP413 4.2 19.9 0.2
C3C A:HEM401 4.2 9.8 1.0
C2C A:HEM401 4.3 9.4 1.0
C2B A:HEM401 4.3 9.8 1.0
C3 A:1NP413 4.3 22.2 0.2
C3B A:HEM401 4.3 9.8 1.0
CA A:CYS36 4.4 9.0 1.0
CD2 A:PHE199 4.8 10.7 1.0
CE2 A:PHE199 4.8 10.8 1.0
CG A:GLU196 4.9 10.2 0.8

Reference:

M.Ramirez-Escudero, P.Molina-Espeja, P.Gomez De Santos, M.Hofrichter, J.Sanz-Aparicio, M.Alcalde. Structural Insights Into the Substrate Promiscuity of A Laboratory-Evolved Peroxygenase. Acs Chem.Biol. V. 13 3259 2018.
ISSN: ESSN 1554-8937
PubMed: 30376293
DOI: 10.1021/ACSCHEMBIO.8B00500
Page generated: Tue Aug 6 17:24:58 2024

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