Chlorine in PDB 6r7p: Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M

The structure of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M, PDB code: 6r7p was solved by D.Wohlwend, E.Gnandt, T.Friedrich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.73 / 3.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.410, 114.640, 187.870, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 25.7

The structure of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M also contains other interesting chemical elements:

Iron	(Fe)	12 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M (pdb code 6r7p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M, PDB code: 6r7p:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:45.9 occ:1.00 OE1 B:GLU116 4.1 40.8 1.0 OH B:TYR34 4.2 42.7 1.0 CB B:PRO228 4.5 40.5 1.0 CA B:GLY39 4.7 45.5 1.0 O B:GLY38 4.8 49.1 1.0 CZ B:TYR34 4.8 42.7 1.0 CE1 B:PHE229 4.8 42.4 1.0 CD1 B:LEU113 4.8 35.8 1.0 CD B:GLU116 5.0 40.9 1.0 CZ B:PHE229 5.0 40.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:58.2 occ:1.00 N C:LYS26 3.7 74.1 1.0 CG C:LYS26 3.8 79.2 1.0 CA C:LYS25 4.1 73.7 1.0 CB C:LYS26 4.3 76.3 1.0 CB C:LYS25 4.4 74.3 1.0 CG C:LYS25 4.4 77.8 1.0 NH2 C:ARG27 4.5 83.6 1.0 C C:LYS25 4.5 71.9 1.0 NZ C:LYS26 4.5 87.0 1.0 OE2 C:GLU57 4.6 0.3 1.0 CA C:LYS26 4.7 73.2 1.0 O C:PRO24 4.7 76.9 1.0 CD C:LYS26 4.9 80.9 1.0 O C:HOH303 5.0 32.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:34.4 occ:1.00 O D:HOH627 2.9 18.7 1.0 OH D:TYR34 3.8 39.5 1.0 OE1 D:GLU116 4.1 40.9 1.0 CB D:PRO228 4.4 34.9 1.0 CD1 D:LEU113 4.4 36.5 1.0 CZ D:TYR34 4.5 39.8 1.0 CE1 D:PHE229 4.6 38.0 1.0 CA D:GLY39 4.6 42.1 1.0 CE1 D:TYR34 4.7 40.1 1.0 O D:HOH630 4.8 17.5 1.0 CZ D:PHE229 4.9 36.6 1.0 NH2 D:ARG22 4.9 38.6 1.0 CD D:GLU116 4.9 40.5 1.0 CD1 D:PHE229 5.0 38.9 1.0 O D:GLY38 5.0 45.8 1.0

M.Schulte, K.Frick, E.Gnandt, S.Jurkovic, S.Burschel, R.Labatzke, K.Aierstock, D.Fiegen, D.Wohlwend, S.Gerhardt, O.Einsle, T.Friedrich. A Mechanism to Prevent Production of Reactive Oxygen Species By Escherichia Coli Respiratory Complex I. Nat Commun V. 10 2551 2019.
ISSN: ESSN 2041-1723
PubMed: 31186428
DOI: 10.1038/S41467-019-10429-0