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 / R_free (%)*	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

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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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