Atomistry » Magnesium » PDB 6e8u-6el4 » 6ekx
Atomistry »
  Magnesium »
    PDB 6e8u-6el4 »
      6ekx »

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

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy