Chlorine in PDB 5oxu: Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita

Enzymatic activity of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita

All present enzymatic activity of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita:
1.11.2.1;

Protein crystallography data

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, PDB code: 5oxu 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)*	48.19 / 1.47
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	51.072, 57.939, 61.099, 90.00, 109.36, 90.00
*R / R_free (%)*	16.4 / 17.8

Other elements in 5oxu:

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Iron	(Fe)	1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita (pdb code 5oxu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, PDB code: 5oxu:

Chlorine binding site 1 out of 1 in 5oxu

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Chlorine Binding Sites List in 5oxu

Chlorine binding site 1 out of 1 in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl403 b:26.5 occ:1.00	O	A:HOH724	2.8	15.3	1.0
	N	A:ASN71	2.9	9.9	1.0
	CB	A:PRO238	3.5	9.5	1.0
	CB	A:ASN71	3.5	10.3	1.0
	C	A:MOH421	3.5	22.9	1.0
	CA	A:ASP70	3.6	9.8	1.0
	C	A:ASP70	3.8	9.8	1.0
	CB	A:ASP70	3.8	10.5	1.0
	CA	A:ASN71	3.8	10.2	1.0
	CG	A:PRO238	3.8	9.4	1.0
	CB	A:PRO8	3.9	15.1	1.0
	O	A:MOH421	4.1	22.9	1.0
	O	A:HOH646	4.3	11.0	1.0
	O	A:HOH651	4.4	15.5	1.0
	CA	A:PRO8	4.5	14.9	1.0
	CG	A:PRO8	4.6	15.2	1.0
	O	A:PHE69	4.8	8.5	1.0
	OE1	A:GLN64	4.8	10.6	1.0
	CG	A:ASN71	4.9	10.5	1.0
	N	A:ASP70	4.9	9.2	1.0
	CA	A:PRO238	4.9	9.5	1.0
	O	A:ASP70	5.0	9.4	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: Sat Jul 12 07:05:53 2025

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