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 / R_free (%)*	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

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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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