Chlorine in PDB 6hl3: Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form Bound to Nad+

All present enzymatic activity of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form Bound to Nad+:
1.6.5.11;

The structure of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form Bound to Nad+, PDB code: 6hl3 was solved by S.Gerhardt, T.Friedrich, O.Einsle, E.Gnandt, M.Schulte, D.Fiegen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.35 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.514, 115.759, 189.635, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.3

The structure of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form Bound to Nad+ also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form Bound to Nad+ (pdb code 6hl3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form Bound to Nad+, PDB code: 6hl3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:69.6 occ:1.00 O A:HOH337 3.4 38.1 1.0 N A:LEU60 3.7 40.3 1.0 CA A:PRO59 3.8 39.2 1.0 CB A:PRO59 3.9 41.1 1.0 C A:PRO59 4.3 41.3 1.0 CB A:LEU60 4.7 43.0 1.0 CA A:LEU60 4.8 41.0 1.0

Chlorine binding site 2 out of 2 in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:66.5 occ:1.00 NZ B:LYS24 3.3 45.0 1.0 ND2 B:ASN17 3.9 51.8 1.0 CE B:LYS24 4.1 37.6 1.0 NZ B:LYS21 4.1 54.2 1.0 OD1 B:ASN17 4.7 37.5 1.0 CG B:ASN17 4.8 51.7 1.0 CE B:LYS21 5.0 39.6 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