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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 / Rfree (%) 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

Go back to 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

Go back to 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

Go back to 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 Dec 12 12:14:19 2020

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