Chlorine in PDB 7pn6: Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Myristic Acid

Enzymatic activity of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Myristic Acid

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

Protein crystallography data

The structure of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Myristic Acid, PDB code: 7pn6 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) 48.33 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.205, 57.908, 61.121, 90, 109.46, 90
R / Rfree (%) 16.3 / 18.9

Other elements in 7pn6:

The structure of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Myristic Acid 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 Myristic Acid (pdb code 7pn6). 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 Myristic Acid, PDB code: 7pn6:

Chlorine binding site 1 out of 1 in 7pn6

Go back to Chlorine Binding Sites List in 7pn6
Chlorine binding site 1 out of 1 in the Evolved Unspecific Peroxygenase with A77L Mutation in Complex with Myristic Acid


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 Myristic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:27.6
occ:1.00
 O A:HOH655 2.8 14.9 1.0
N A:ASN71 2.9 10.3 1.0
CB A:ASN71 3.5 10.7 1.0
CB A:PRO238 3.5 11.8 1.0
CA A:ASP70 3.6 11.4 1.0
CB A:ASP70 3.7 12.8 1.0
C A:ASP70 3.7 10.5 1.0
CB A:PRO8 3.8 16.4 1.0
CA A:ASN71 3.8 10.4 1.0
O A:HOH609 3.9 22.1 1.0
CG A:PRO238 3.9 11.9 1.0
O A:HOH597 4.3 11.4 1.0
O A:HOH608 4.3 17.1 1.0
CA A:PRO8 4.5 15.2 1.0
CG A:PRO8 4.6 17.8 1.0
O A:PHE69 4.7 10.3 1.0
OE1 A:GLN64 4.8 13.7 1.0
CG A:ASN71 4.8 10.8 1.0
N A:ASP70 4.9 10.4 1.0
CG A:ASP70 4.9 15.9 1.0
O A:ASP70 5.0 9.4 1.0
CA A:PRO238 5.0 11.1 1.0
C A:ASN71 5.0 10.5 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: Tue Jul 30 02:34:27 2024

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