Chlorine in PDB 5nku: Joint Neutron/X-Ray Structure of Dimeric Chlorite Dismutase From Cyanothece Sp. PCC7425

The structure of Joint Neutron/X-Ray Structure of Dimeric Chlorite Dismutase From Cyanothece Sp. PCC7425, PDB code: 5nku was solved by D.Puehringer, I.Schaffner, G.Mlynek, C.Obinger, K.Djinovic-Carugo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	52.427, 53.015, 55.337, 107.30, 98.54, 109.86
R / Rfree (%)	23.9 / 25.3

The structure of Joint Neutron/X-Ray Structure of Dimeric Chlorite Dismutase From Cyanothece Sp. PCC7425 also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Joint Neutron/X-Ray Structure of Dimeric Chlorite Dismutase From Cyanothece Sp. PCC7425 (pdb code 5nku). 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 Joint Neutron/X-Ray Structure of Dimeric Chlorite Dismutase From Cyanothece Sp. PCC7425, PDB code: 5nku:

Chlorine binding site 1 out of 1 in the Joint Neutron/X-Ray Structure of Dimeric Chlorite Dismutase From Cyanothece Sp. PCC7425


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Joint Neutron/X-Ray Structure of Dimeric Chlorite Dismutase From Cyanothece Sp. PCC7425 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:74.6 occ:1.00 HH22 B:ARG4 2.5 72.4 0.1 DH22 B:ARG4 2.5 72.4 0.9 DH22 A:ARG4 2.7 71.6 1.0 HH22 A:ARG4 2.7 71.6 0.0 DH12 A:ARG4 3.0 66.5 0.7 HH12 A:ARG4 3.0 66.5 0.3 DH12 B:ARG4 3.2 83.3 0.8 HH12 B:ARG4 3.2 83.3 0.2 NH2 B:ARG4 3.4 60.4 1.0 NH2 A:ARG4 3.6 59.6 1.0 NH1 A:ARG4 3.8 55.5 1.0 NH1 B:ARG4 3.9 69.4 1.0 DH21 B:ARG4 4.0 72.4 0.7 HH21 B:ARG4 4.0 72.4 0.3 CZ B:ARG4 4.1 63.3 1.0 CZ A:ARG4 4.2 46.3 1.0 DH21 A:ARG4 4.2 71.6 0.3 HH21 A:ARG4 4.2 71.6 0.7 HD22 A:LEU135 4.5 64.9 1.0 HH11 A:ARG4 4.5 66.5 0.0 DH11 A:ARG4 4.5 66.5 1.0 HD22 B:LEU135 4.6 55.7 1.0 DH11 B:ARG4 4.7 83.3 0.8 HH11 B:ARG4 4.7 83.3 0.2

I.Schaffner, G.Mlynek, N.Flego, D.Puhringer, J.Libiseller-Egger, L.Coates, S.Hofbauer, M.Bellei, P.G.Furtmuller, G.Battistuzzi, G.Smulevich, K.Djinovic-Carugo, C.Obinger. Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights From Structural and Kinetic Studies. Acs Catal V. 7 7962 2017.
ISSN: ESSN 2155-5435
PubMed: 29142780
DOI: 10.1021/ACSCATAL.7B01749