Chlorine in PDB 5oxt: Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate

Enzymatic activity of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate

All present enzymatic activity of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate:
1.11.2.1;

Protein crystallography data

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate, PDB code: 5oxt 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)*	45.23 / 1.42
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	64.999, 99.151, 83.890, 90.00, 103.27, 90.00
*R / R_free (%)*	15 / 16.4

Other elements in 5oxt:

The structure of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Iron	(Fe)	3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate (pdb code 5oxt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate, PDB code: 5oxt:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5oxt

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Chlorine Binding Sites List in 5oxt

Chlorine binding site 1 out of 3 in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate

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, in Complex with Acetate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl1002 b:19.1 occ:0.80	O	A:HOH1356	2.8	11.0	1.0
	N	A:ASN71	2.9	8.1	1.0
	CB	A:ASN71	3.4	8.2	1.0
	CB	A:PRO238	3.5	8.7	1.0
	CA	A:ASP70	3.7	8.6	1.0
	CA	A:ASN71	3.7	8.1	1.0
	C	A:ASP70	3.8	8.3	1.0
	CG	A:PRO238	3.9	8.8	1.0
	CB	A:ASP70	3.9	9.6	1.0
	O	A:HOH1342	3.9	15.3	1.0
	CB	A:PRO8	4.0	11.2	1.0
	O	A:HOH1301	4.3	9.5	1.0
	O	A:HOH1279	4.4	13.5	1.0
	CA	A:PRO8	4.5	10.9	1.0
	CG	A:PRO8	4.5	11.5	1.0
	CG	A:ASN71	4.8	8.3	1.0
	O	A:PHE69	4.9	7.5	1.0
	OE1	A:GLN64	4.9	10.6	1.0
	C	A:ASN71	5.0	8.0	1.0
	N	A:ASP70	5.0	8.1	1.0
	O	A:ASP70	5.0	7.9	1.0
	CA	A:PRO238	5.0	8.7	1.0

Chlorine binding site 2 out of 3 in 5oxt

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Chlorine Binding Sites List in 5oxt

Chlorine binding site 2 out of 3 in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl404 b:19.8 occ:0.80	O	B:HOH738	2.8	10.9	1.0
	N	B:ASN71	2.9	8.0	1.0
	CB	B:ASN71	3.4	8.3	1.0
	CB	B:PRO238	3.5	8.9	1.0
	CA	B:ASP70	3.6	8.6	1.0
	CA	B:ASN71	3.7	8.2	1.0
	C	B:ASP70	3.8	8.3	1.0
	CG	B:PRO238	3.9	9.0	1.0
	CB	B:ASP70	3.9	9.8	1.0
	O	B:HOH717	3.9	17.4	1.0
	CB	B:PRO8	4.0	11.3	1.0
	O	B:HOH659	4.3	9.6	1.0
	O	B:HOH694	4.4	14.0	1.0
	CA	B:PRO8	4.4	11.0	1.0
	CG	B:PRO8	4.5	11.5	1.0
	CG	B:ASN71	4.8	8.6	1.0
	O	B:PHE69	4.8	7.8	1.0
	OE1	B:GLN64	4.9	10.8	1.0
	O	B:HOH916	4.9	40.5	1.0
	N	B:ASP70	5.0	8.2	1.0
	C	B:ASN71	5.0	8.1	1.0
	O	B:ASP70	5.0	7.8	1.0
	CA	B:PRO238	5.0	8.9	1.0

Chlorine binding site 3 out of 3 in 5oxt

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Chlorine Binding Sites List in 5oxt

Chlorine binding site 3 out of 3 in the Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Cl1002 b:20.6 occ:0.80	O	C:HOH1335	2.8	12.6	1.0
	N	C:ASN71	3.0	9.0	1.0
	CB	C:ASN71	3.4	9.2	1.0
	CB	C:PRO238	3.5	9.7	1.0
	CA	C:ASP70	3.7	9.5	1.0
	CA	C:ASN71	3.8	9.1	1.0
	CG	C:PRO238	3.8	9.8	1.0
	C	C:ASP70	3.8	9.0	1.0
	CB	C:PRO8	3.9	11.3	1.0
	O	C:HOH1368	3.9	19.6	1.0
	CB	C:ASP70	3.9	10.4	1.0
	O	C:HOH1237	4.3	10.2	1.0
	CA	C:PRO8	4.4	11.1	1.0
	O	C:HOH1280	4.4	16.5	1.0
	CG	C:PRO8	4.4	11.5	1.0
	CG	C:ASN71	4.8	9.3	1.0
	OE1	C:GLN64	4.8	10.8	1.0
	O	C:PHE69	4.8	9.0	1.0
	CA	C:PRO238	5.0	9.9	1.0
	N	C:ASP70	5.0	9.0	1.0
	C	C:ASN71	5.0	9.0	1.0

Reference:

M.Ramirez-Escudero, J.Sanz-Aparicio. Direct-Evolutioned Unspecific Peroxygenase From Agrocybe Aegerita, in Complex with Acetate To Be Published.

Page generated: Sat Jul 12 07:05:50 2025

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