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Magnesium in PDB 6ekx: Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (I)

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

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

Protein crystallography data

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with 1-Naphthol (I), PDB code: 6ekx 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) 48.04 / 1.13
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.086, 57.799, 60.691, 90.00, 109.89, 90.00
R / Rfree (%) 16.6 / 17.5

Other elements in 6ekx:

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

Magnesium binding site 1 out of 1 in 6ekx

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


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 (I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:6.4
occ:1.00
 O A:HOH671 2.1 8.0 1.0
OE2 A:GLU122 2.1 8.0 1.0
O A:HOH633 2.1 6.8 1.0
O A:GLY123 2.1 7.1 1.0
OG A:SER126 2.1 6.6 1.0
O1A A:HEM401 2.3 6.5 1.0
CD A:GLU122 3.1 8.3 1.0
CGA A:HEM401 3.1 10.8 1.0
C A:GLY123 3.2 7.2 1.0
O2A A:HEM401 3.3 11.3 1.0
CB A:SER126 3.3 6.7 1.0
CG A:GLU122 3.6 8.5 1.0
N A:GLY123 3.6 7.8 1.0
CA A:GLY123 3.9 7.5 1.0
O A:HOH663 4.1 7.6 1.0
O A:HOH682 4.1 7.2 1.0
OE1 A:GLU122 4.2 8.3 1.0
O A:HOH521 4.2 7.4 1.0
N A:ASP124 4.3 6.9 1.0
O A:ASN137 4.3 8.2 1.0
N A:SER126 4.4 6.7 1.0
NH2 A:ARG189 4.4 8.7 1.0
CA A:SER126 4.4 6.8 1.0
CBA A:HEM401 4.5 6.1 1.0
C A:GLU122 4.6 8.3 1.0
CA A:ASP124 4.6 6.9 1.0
O A:GLY130 4.7 7.0 1.0
CB A:GLU122 4.8 8.7 1.0
CZ A:ARG189 4.8 8.8 1.0
C A:ASP124 4.8 6.7 1.0
CA A:GLU122 4.9 8.8 1.0
CB A:ARG129 4.9 7.4 1.0
CAA A:HEM401 4.9 8.0 1.0
CB A:ASN137 4.9 8.0 1.0
O A:ASP124 5.0 6.7 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 23:58:58 2024

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