Chlorine in PDB 7pn8: Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Tetradecane

Enzymatic activity of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Tetradecane

All present enzymatic activity of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Tetradecane:
1.11.2.1;

Protein crystallography data

The structure of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Tetradecane, PDB code: 7pn8 was solved by A.Fernandez-Garcia, J.Sanz-Aparicio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	48.11 / 1.50
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	51.172, 57.996, 60.863, 90, 110.08, 90
*R / R_free (%)*	15 / 16.4

Other elements in 7pn8:

The structure of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Tetradecane also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Tetradecane (pdb code 7pn8). 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 Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Tetradecane, PDB code: 7pn8:

Chlorine binding site 1 out of 1 in 7pn8

Go back to

Chlorine Binding Sites List in 7pn8

Chlorine binding site 1 out of 1 in the Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Tetradecane

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Tetradecane within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl404 b:29.1 occ:1.00	O	A:HOH652	2.8	15.3	1.0
	N	A:ASN71	2.9	10.4	1.0
	CB	A:ASN71	3.5	11.3	1.0
	CB	A:PRO238	3.5	11.8	1.0
	CA	A:ASP70	3.6	11.0	1.0
	C	A:ASP70	3.7	10.5	1.0
	CB	A:PRO8	3.8	16.1	1.0
	CB	A:ASP70	3.8	11.5	1.0
	CA	A:ASN71	3.8	11.0	1.0
	O	A:HOH642	3.9	21.6	1.0
	CG	A:PRO238	3.9	12.0	1.0
	O	A:HOH606	4.2	12.5	1.0
	O	A:HOH593	4.3	16.8	1.0
	CA	A:PRO8	4.4	15.5	1.0
	CG	A:PRO8	4.6	17.2	1.0
	OE1	A:GLN64	4.7	13.4	1.0
	O	A:PHE69	4.8	10.0	1.0
	CG	A:ASN71	4.8	11.6	1.0
	N	A:ASP70	4.9	10.6	1.0
	O	A:ASP70	4.9	9.9	1.0
	CA	A:PRO238	5.0	11.4	1.0

Reference:

P.G.De Santos, A.Gonzalez-Benjumea, A.Fernandez-Garcia, C.Aranda, Y.Wu, A.But, P.Molina-Espeja, D.M.Mate, D.Gonzalez-Perez, W.Zhang, J.Kiebist, K.Scheibner, M.Hofrichter, K.Swiderek, V.Moliner, J.Sanz-Aparicio, F.Hollmann, A.Gutierrez, M.Alcalde. Engineering A Highly Regioselective Fungal Peroxygenase For the Synthesis of Hydroxy Fatty Acids Angew.Chem.Int.Ed.Engl. 2022.
ISSN: ESSN 1521-3773
DOI: 10.1002/ANIE.202217372

Page generated: Sun Jul 13 05:42:55 2025

Last articles

Mg in 3GYG
Mg in 3H0G
Mg in 3H08
Mg in 3GX3
Mg in 3GX5
Mg in 3GYB
Mg in 3GX7
Mg in 3GY1
Mg in 3GXZ
Mg in 3GXY

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy