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Magnesium in PDB 7pna: Evolved Unspecific Peroxygenase with A77L Mutation in Complex with 12- Methoxylauric Acid

Enzymatic activity of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with 12- Methoxylauric Acid

All present enzymatic activity of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with 12- Methoxylauric Acid:
1.11.2.1;

Protein crystallography data

The structure of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with 12- Methoxylauric Acid, PDB code: 7pna 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) 48.43 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.466, 58.082, 61.198, 90, 109.93, 90
R / Rfree (%) 16.4 / 19.6

Other elements in 7pna:

The structure of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with 12- Methoxylauric Acid also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Iron (Fe) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Evolved Unspecific Peroxygenase with A77L Mutation in Complex with 12- Methoxylauric Acid (pdb code 7pna). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Evolved Unspecific Peroxygenase with A77L Mutation in Complex with 12- Methoxylauric Acid, PDB code: 7pna:

Magnesium binding site 1 out of 1 in 7pna

Go back to Magnesium Binding Sites List in 7pna
Magnesium binding site 1 out of 1 in the Evolved Unspecific Peroxygenase with A77L Mutation in Complex with 12- Methoxylauric Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Evolved Unspecific Peroxygenase with A77L Mutation in Complex with 12- Methoxylauric Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:9.7
occ:1.00
 OE2 A:GLU122 2.0 10.5 1.0
O1A A:HEM402 2.0 10.2 1.0
O A:GLY123 2.0 10.3 1.0
O A:HOH562 2.1 12.6 1.0
OG A:SER126 2.1 9.8 1.0
O A:HOH570 2.2 13.3 1.0
CGA A:HEM402 3.0 12.0 1.0
CD A:GLU122 3.1 13.0 1.0
C A:GLY123 3.2 10.7 1.0
O2A A:HEM402 3.4 13.5 1.0
CB A:SER126 3.4 11.1 1.0
N A:GLY123 3.5 11.0 1.0
CG A:GLU122 3.5 13.1 1.0
CA A:GLY123 3.9 11.6 1.0
O A:HOH580 4.0 16.2 1.0
OE1 A:GLU122 4.1 13.6 1.0
O A:HOH578 4.2 13.9 1.0
N A:ASP124 4.3 10.4 1.0
CBA A:HEM402 4.4 10.6 1.0
O A:HOH512 4.4 18.4 1.0
NH2 A:ARG189 4.4 12.7 1.0
O A:ASN137 4.4 10.9 1.0
CA A:SER126 4.4 11.2 1.0
N A:SER126 4.5 11.0 1.0
C A:GLU122 4.5 11.6 1.0
CA A:ASP124 4.6 12.4 1.0
CZ A:ARG189 4.7 13.7 1.0
CB A:GLU122 4.7 12.9 1.0
O A:GLY130 4.8 11.9 1.0
CA A:GLU122 4.8 12.2 1.0
C A:ASP124 4.8 11.7 1.0
O A:ASP124 4.9 11.2 1.0
CAA A:HEM402 4.9 9.9 1.0
CB A:ARG129 4.9 11.5 1.0
CB A:ASN137 5.0 12.4 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: Thu Apr 6 19:17:27 2023

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