Chlorine 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:

Sodium	(Na)	1 atom
Magnesium	(Mg)	3 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Fad-Dependent Oxidoreductase From Chaetomium Thermophilum in Complex with Fragment 4-Nitrocatechol, PDB code: 6ze6:

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl713 b:22.7 occ:0.80 O A:HOH853 2.7 28.6 1.0 O A:HOH1751 2.9 20.6 1.0 O A:HOH1390 3.0 30.2 1.0 N A:LEU81 3.1 10.5 1.0 CA A:PRO80 3.7 9.7 1.0 CB A:LEU81 3.7 10.4 1.0 CB A:PRO80 3.8 11.5 1.0 C A:PRO80 3.9 9.7 1.0 CG A:LEU81 3.9 11.1 1.0 CB A:PRO269 3.9 11.4 1.0 CD1 A:LEU81 3.9 12.9 1.0 CA A:LEU81 4.0 9.6 1.0 CG A:PRO269 4.2 13.4 1.0 O A:LEU81 4.4 11.8 1.0 OG A:SER270 4.6 14.3 1.0 C A:LEU81 4.7 10.1 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