Magnesium in PDB 8vf3: The Crystal Structure of Galqe CYP199A4 Bound to 4-Methoxybenzoic Acid

The structure of The Crystal Structure of Galqe CYP199A4 Bound to 4-Methoxybenzoic Acid, PDB code: 8vf3 was solved by M.N.Podgorski, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 1.47
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.085, 51.53, 78.52, 90, 93.53, 90
R / Rfree (%)	15.3 / 17.3

The structure of The Crystal Structure of Galqe CYP199A4 Bound to 4-Methoxybenzoic Acid also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the The Crystal Structure of Galqe CYP199A4 Bound to 4-Methoxybenzoic Acid (pdb code 8vf3). 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 The Crystal Structure of Galqe CYP199A4 Bound to 4-Methoxybenzoic Acid, PDB code: 8vf3:

Magnesium binding site 1 out of 1 in the The Crystal Structure of Galqe CYP199A4 Bound to 4-Methoxybenzoic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of Galqe CYP199A4 Bound to 4-Methoxybenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg505 b:30.8 occ:1.00 O A:HOH618 2.0 27.4 1.0 O A:HOH1156 2.1 35.8 1.0 O A:HOH943 2.2 29.1 1.0 OG1 A:THR194 4.1 17.1 1.0 O A:HOH871 4.1 27.4 1.0 OE2 A:GLU197 4.2 20.1 1.0 OE1 A:GLU190 4.4 21.2 1.0 NE2 A:GLN193 4.5 44.8 1.0

M.N.Podgorski, J.Akter, L.R.Churchman, J.B.Bruning, J.J.De Voss, S.G.Bell. Engineering Peroxygenase Activity Into Cytochrome P450 Monooxygenases Through Modification of the Oxygen Binding Region Acs Catalysis 7426 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.4C01326