Sodium 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:

Magnesium

(Mg)

1 atom

The binding sites of Sodium 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 Sodium atom.
In total only one binding site of Sodium was determined in the Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment (4-Methoxycarbonylphenyl)Methylazanium, PDB code: 6ze3:

Sodium 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 Sodium with other atoms in the Na 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:Na708 b:43.4 occ:0.50 O A:HOH977 2.8 36.0 1.0 OE1 A:GLN390 2.8 31.6 1.0 CD A:GLN390 3.6 39.2 1.0 NE2 A:GLN390 3.9 32.7 1.0 OE2 A:GLU176 4.0 41.7 1.0 CB A:ASN202 4.1 33.8 1.0 O A:ASN202 4.1 32.5 1.0 O A:HOH903 4.2 25.0 1.0 CG A:ASN202 4.5 35.4 1.0 OG A:SER174 4.6 41.8 1.0 ND2 A:ASN202 4.6 32.1 1.0 O A:HOH996 4.7 33.9 1.0 CA A:ASN202 4.9 36.2 1.0 CG A:GLN390 4.9 36.5 1.0 C A:ASN202 4.9 34.6 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