Magnesium in PDB 6ze4: Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment 4-Oxo-N-[(1S)-1-(Pyridin-3-Yl)Ethyl]-4-(Thiophen-2-Yl) Butanamide

The structure of Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment 4-Oxo-N-[(1S)-1-(Pyridin-3-Yl)Ethyl]-4-(Thiophen-2-Yl) Butanamide, PDB code: 6ze4 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)	49.38 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.562, 109.875, 116.113, 90, 90, 90
R / Rfree (%)	17 / 20.2

The structure of Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment 4-Oxo-N-[(1S)-1-(Pyridin-3-Yl)Ethyl]-4-(Thiophen-2-Yl) Butanamide also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Magnesium atom in the Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment 4-Oxo-N-[(1S)-1-(Pyridin-3-Yl)Ethyl]-4-(Thiophen-2-Yl) Butanamide (pdb code 6ze4). 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-Oxo-N-[(1S)-1-(Pyridin-3-Yl)Ethyl]-4-(Thiophen-2-Yl) Butanamide, PDB code: 6ze4:

Magnesium binding site 1 out of 1 in the Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment 4-Oxo-N-[(1S)-1-(Pyridin-3-Yl)Ethyl]-4-(Thiophen-2-Yl) Butanamide


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-Oxo-N-[(1S)-1-(Pyridin-3-Yl)Ethyl]-4-(Thiophen-2-Yl) Butanamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg710 b:22.1 occ:1.00 O B:HOH1448 2.0 17.8 1.0 O B:HOH1009 2.1 21.2 1.0 O B:HOH1598 2.1 19.4 1.0 O A:HOH1064 2.1 21.7 1.0 O A:HOH1148 2.2 19.0 1.0 O B:HOH1167 2.2 18.8 1.0 O A:HOH1267 4.1 19.2 1.0 O B:HOH1225 4.2 18.8 1.0 O A:HOH1577 4.2 31.9 1.0 O A:HOH1578 4.2 32.0 1.0 O B:PRO172 4.3 15.0 1.0 O B:HOH1496 4.3 32.7 1.0 O A:PRO172 4.3 16.2 1.0 O B:PRO173 4.4 14.8 1.0 O A:HOH1505 4.4 29.7 1.0 O A:PRO173 4.4 16.5 1.0 C A:PRO173 4.9 15.8 1.0 CA A:SER174 4.9 17.7 1.0 C B:PRO173 4.9 15.8 1.0 CA B:SER174 5.0 17.9 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