Sodium in PDB 6ze7: Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with 4-Nitrophenol

The structure of Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with 4-Nitrophenol, PDB code: 6ze7 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)	47.23 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	92.611, 109.674, 115.634, 90, 90, 90
R / Rfree (%)	15.5 / 18.2

The structure of Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with 4-Nitrophenol also contains other interesting chemical elements:

Magnesium

(Mg)

5 atoms

The binding sites of Sodium atom in the Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with 4-Nitrophenol (pdb code 6ze7). 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 Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with 4-Nitrophenol, PDB code: 6ze7:

Sodium binding site 1 out of 1 in the Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with 4-Nitrophenol


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with 4-Nitrophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Na716 b:18.3 occ:1.00 OE1 A:GLN390 2.6 10.0 1.0 OE1 B:GLN390 2.6 10.5 1.0 O B:HOH852 2.6 19.8 1.0 O A:HOH844 2.7 20.2 1.0 O A:HOH1266 2.7 19.4 1.0 O B:HOH1293 2.7 19.1 1.0 CD B:GLN390 3.5 10.6 1.0 CD A:GLN390 3.5 10.1 1.0 NE2 B:GLN390 4.0 9.7 1.0 NE2 A:GLN390 4.0 10.4 1.0 OE2 A:GLU176 4.0 15.7 1.0 OE2 B:GLU176 4.0 15.8 1.0 CB A:ASN202 4.1 9.6 1.0 CB B:ASN202 4.1 8.8 1.0 O A:ASN202 4.1 9.9 1.0 O B:ASN202 4.1 9.0 1.0 O B:HOH1132 4.1 10.7 1.0 O A:HOH1102 4.1 11.0 1.0 OG A:SER174 4.4 13.7 0.5 CG B:ASN202 4.5 8.2 1.0 OG B:SER174 4.5 15.9 0.5 CG A:ASN202 4.5 9.3 1.0 ND2 B:ASN202 4.5 8.9 1.0 ND2 A:ASN202 4.6 10.2 1.0 O B:HOH1201 4.6 14.7 1.0 OG B:SER174 4.6 12.2 0.5 O A:HOH1186 4.7 13.2 1.0 OG A:SER174 4.7 12.6 0.5 CG B:GLN390 4.8 9.8 1.0 CG A:GLN390 4.8 10.2 1.0 C B:ASN202 5.0 9.4 1.0 C A:ASN202 5.0 8.8 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