Chlorine in PDB 7aa2: Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with Abts

The structure of Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with Abts, PDB code: 7aa2 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)	49.34 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.589, 109.799, 115.982, 90, 90, 90
R / Rfree (%)	12.8 / 17.2

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

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with Abts (pdb code 7aa2). 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 Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with Abts, PDB code: 7aa2:

Chlorine binding site 1 out of 1 in the Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with Abts


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Chaetomium Thermophilum Fad-Dependent Oxidoreductase in Complex with Abts within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl711 b:30.6 occ:1.00 O A:HOH835 2.8 31.0 1.0 O A:HOH1365 3.0 37.5 1.0 N A:LEU81 3.2 15.7 1.0 CA A:PRO80 3.7 15.5 1.0 CB A:LEU81 3.8 15.1 1.0 CB A:PRO80 3.8 17.7 1.0 C A:PRO80 3.9 15.0 1.0 CG A:LEU81 4.0 15.2 1.0 CB A:PRO269 4.0 17.2 1.0 CD1 A:LEU81 4.0 16.5 1.0 CA A:LEU81 4.1 13.7 1.0 CG A:PRO269 4.3 17.4 1.0 O A:LEU81 4.4 17.4 1.0 OG A:SER270 4.6 18.8 1.0 C A:LEU81 4.8 15.4 1.0 O A:HOH1337 5.0 25.6 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