Sodium in PDB 6ze6: Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment 4-Nitrocatechol

The structure of Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment 4-Nitrocatechol, PDB code: 6ze6 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)	29.06 / 1.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.565, 109.746, 116.071, 90, 90, 90
R / Rfree (%)	11.3 / 14.7

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

Chlorine	(Cl)	1 atom
Magnesium	(Mg)	3 atoms

The binding sites of Sodium atom in the Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment 4-Nitrocatechol (pdb code 6ze6). 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-Nitrocatechol, PDB code: 6ze6:

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


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-Nitrocatechol within 5.0Å range: probe atom residue distance (Å) B Occ A:Na714 b:21.4 occ:1.00 O B:HOH1406 2.6 23.4 1.0 OE1 B:GLN390 2.6 10.2 1.0 OE1 A:GLN390 2.6 10.5 1.0 O A:HOH883 2.7 21.5 0.5 O A:HOH1403 2.8 20.1 1.0 CD A:GLN390 3.5 9.8 1.0 CD B:GLN390 3.6 10.1 1.0 NE2 A:GLN390 3.9 11.5 1.0 OE2 A:GLU176 3.9 16.6 1.0 CB B:ASN202 4.0 9.3 1.0 NE2 B:GLN390 4.0 11.6 1.0 O B:ASN202 4.0 9.4 1.0 OE2 B:GLU176 4.0 21.1 1.0 O B:HOH1100 4.1 9.9 1.0 CB A:ASN202 4.2 8.6 1.0 OG B:SER174 4.2 16.1 0.3 O A:ASN202 4.3 9.7 1.0 O A:HOH1190 4.3 10.0 1.0 CG B:ASN202 4.4 8.9 1.0 OG A:SER174 4.4 16.9 0.3 ND2 B:ASN202 4.5 9.8 1.0 O B:HOH1294 4.6 14.8 1.0 CG A:ASN202 4.6 8.5 1.0 ND2 A:ASN202 4.6 9.3 1.0 OG A:SER174 4.7 14.7 0.7 OG B:SER174 4.7 13.3 0.7 O A:HOH1336 4.7 14.8 1.0 CG A:GLN390 4.8 10.2 1.0 CG B:GLN390 4.9 9.7 1.0 C B:ASN202 4.9 8.6 1.0 CA B:ASN202 4.9 8.6 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