Magnesium in PDB 6ze3: Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment (4-Methoxycarbonylphenyl)Methylazanium

The structure of Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment (4-Methoxycarbonylphenyl)Methylazanium, PDB code: 6ze3 was solved by L.Svecova, T.Skalova, P.Kolenko, T.Koval, L.H.Oestergaard, J.Dohnalek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.26 / 2.22
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	109.683, 115.585, 46.605, 90, 90, 90
R / Rfree (%)	17.8 / 25.5

The structure of Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment (4-Methoxycarbonylphenyl)Methylazanium also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Magnesium atom in the Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment (4-Methoxycarbonylphenyl)Methylazanium (pdb code 6ze3). 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 Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment (4-Methoxycarbonylphenyl)Methylazanium, PDB code: 6ze3:

Magnesium binding site 1 out of 1 in the Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment (4-Methoxycarbonylphenyl)Methylazanium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment (4-Methoxycarbonylphenyl)Methylazanium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg709 b:42.6 occ:0.50 O A:HOH984 2.3 38.2 1.0 O A:HOH1029 2.4 32.9 1.0 O A:HOH827 3.9 34.0 1.0 O A:PRO172 4.2 34.7 1.0 O A:PRO173 4.3 30.6 1.0 O A:HOH1107 4.4 35.0 1.0 O A:HOH1104 4.7 46.2 1.0 CA A:SER174 4.7 38.3 1.0 C A:PRO173 4.7 30.7 1.0 N A:SER174 4.9 32.2 1.0

L.Svecova, L.H.Ostergaard, T.Skalova, K.M.Schnorr, T.Koval', P.Kolenko, J.Stransky, D.Sedlak, J.Duskova, M.Trundova, J.Hasek, J.Dohnalek. Crystallographic Fragment Screening-Based Study of A Novel Fad-Dependent Oxidoreductase From Chaetomium Thermophilum Acta Crystallogr.,Sect.D 2021.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798321003533