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Magnesium 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:

Iron (Fe) 1 atom
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total only one binding site of Magnesium was determined in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (II), PDB code: 6eky:

Magnesium binding site 1 out of 1 in 6eky

Go back to Magnesium Binding Sites List in 6eky
Magnesium 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 Magnesium with other atoms in the Mg 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:Mg402

b:8.4
occ:1.00
 OE2 A:GLU122 2.1 9.7 1.0
O A:HOH672 2.1 9.9 1.0
O A:HOH629 2.1 9.2 1.0
O A:GLY123 2.1 9.2 1.0
OG A:SER126 2.2 8.5 1.0
O1A A:HEM401 2.3 9.4 1.0
CD A:GLU122 3.1 9.9 1.0
CGA A:HEM401 3.2 11.4 1.0
C A:GLY123 3.2 8.9 1.0
O2A A:HEM401 3.3 11.8 1.0
CB A:SER126 3.4 8.4 1.0
CG A:GLU122 3.6 10.1 1.0
N A:GLY123 3.6 9.3 1.0
CA A:GLY123 3.9 9.2 1.0
O A:HOH631 4.0 9.8 1.0
O A:HOH641 4.2 9.4 1.0
OE1 A:GLU122 4.2 10.4 1.0
O A:HOH518 4.2 9.7 1.0
N A:ASP124 4.3 8.9 1.0
O A:ASN137 4.3 10.3 1.0
NH2 A:ARG189 4.4 10.3 1.0
N A:SER126 4.4 8.6 1.0
CA A:SER126 4.4 8.6 1.0
CBA A:HEM401 4.6 9.1 1.0
C A:GLU122 4.6 9.8 1.0
CA A:ASP124 4.6 9.0 1.0
O A:GLY130 4.7 9.2 1.0
CZ A:ARG189 4.8 10.5 1.0
CB A:GLU122 4.8 10.1 1.0
C A:ASP124 4.8 8.8 1.0
CB A:ARG129 4.9 9.6 1.0
CA A:GLU122 4.9 10.2 1.0
CAA A:HEM401 4.9 9.5 1.0
CB A:ASN137 4.9 10.2 1.0
O A:ASP124 5.0 8.8 1.0

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: Mon Sep 30 23:59:20 2024

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