Chlorine in PDB 6rkz: Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II

All present enzymatic activity of Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II:
1.7.2.4;

The structure of Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II, PDB code: 6rkz was solved by L.Zhang, A.Wuest, B.Prasser, C.Mueller, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.70 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.887, 76.789, 108.823, 90.00, 93.33, 90.00
R / Rfree (%)	15.2 / 19.1

The structure of Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Calcium	(Ca)	2 atoms
Copper	(Cu)	12 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II (pdb code 6rkz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II, PDB code: 6rkz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl711 b:17.9 occ:0.65 NH1 A:ARG181 3.1 27.4 1.0 ND1 A:HIS382 3.1 28.4 1.0 O A:HOH1050 3.2 31.1 1.0 CE1 A:HIS382 3.2 34.8 1.0 ND2 A:ASN329 3.2 26.5 1.0 N A:CYS328 3.3 18.8 1.0 NH2 A:ARG181 3.5 31.7 1.0 CB A:ASN241 3.6 21.8 1.0 CA A:GLY327 3.7 24.5 1.0 O A:CYS328 3.8 27.6 1.0 CZ A:ARG181 3.8 30.1 1.0 CG A:ASN241 3.8 24.4 1.0 CG A:ASN329 3.9 29.2 1.0 O A:HOH947 3.9 38.9 1.0 OD1 A:ASN329 3.9 26.4 1.0 C A:GLY327 4.0 18.4 1.0 C A:CYS328 4.1 26.8 1.0 OD1 A:ASN241 4.2 28.5 1.0 ND2 A:ASN241 4.2 26.0 1.0 CA A:CYS328 4.3 25.7 1.0 CE1 A:HIS433 4.3 31.6 1.0 O A:HOH1154 4.4 24.3 1.0 CG A:HIS382 4.5 29.0 1.0 NE2 A:HIS382 4.5 33.6 1.0 ND1 A:HIS433 4.8 27.9 1.0 CB A:CYS328 4.9 29.6 1.0 N A:GLY327 4.9 23.7 1.0 N A:ASN329 5.0 24.8 1.0

Chlorine binding site 2 out of 3 in the Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl712 b:40.9 occ:0.89 O A:HOH807 3.0 51.7 1.0 NZ A:LYS403 3.1 34.4 1.0 NH2 A:ARG388 3.2 35.0 1.0 NE A:ARG388 3.4 27.3 1.0 ND2 A:ASN390 3.4 29.6 1.0 CZ A:ARG388 3.7 29.4 1.0 O A:HOH1141 3.8 36.1 1.0 CE A:LYS403 3.9 31.2 1.0 OD1 A:ASP479 3.9 65.9 1.0 O A:GLY478 4.2 33.4 1.0 CA A:ASP479 4.3 41.2 1.0 OD2 A:ASP386 4.5 28.0 1.0 CG A:ASN390 4.5 33.4 1.0 CD A:ARG388 4.6 34.3 1.0 O A:HOH1014 4.6 44.9 1.0 O A:HOH978 4.7 30.8 1.0 C A:GLY478 4.8 35.6 1.0 O A:ASP479 4.8 41.2 1.0 CG A:ASP479 4.8 64.3 1.0 N A:ASP479 4.9 35.5 1.0 CB A:ASP479 5.0 44.6 1.0 C A:ASP479 5.0 39.4 1.0

Chlorine binding site 3 out of 3 in the Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Recombinant Pseudomonas Stutzeri Nitrous Oxide Reductase, Form II within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl708 b:25.5 occ:0.77 O B:HOH1076 3.0 34.8 1.0 ND1 B:HIS382 3.2 35.5 1.0 NH1 B:ARG181 3.2 33.0 1.0 CE1 B:HIS382 3.3 39.3 1.0 N B:CYS328 3.3 26.9 1.0 ND2 B:ASN329 3.4 33.0 1.0 NH2 B:ARG181 3.5 40.5 1.0 CB B:ASN241 3.6 23.6 1.0 CA B:GLY327 3.7 22.1 1.0 CG B:ASN241 3.8 25.0 1.0 O B:CYS328 3.8 34.6 1.0 CZ B:ARG181 3.8 42.7 1.0 O B:HOH942 3.8 43.5 1.0 CG B:ASN329 4.0 31.6 1.0 C B:GLY327 4.0 26.6 1.0 OD1 B:ASN329 4.0 31.6 1.0 OD1 B:ASN241 4.1 31.4 1.0 ND2 B:ASN241 4.2 34.7 1.0 C B:CYS328 4.2 33.1 1.0 CE1 B:HIS433 4.2 32.7 1.0 CA B:CYS328 4.4 32.9 1.0 O B:HOH1079 4.5 26.6 1.0 CG B:HIS382 4.5 35.3 1.0 NE2 B:HIS382 4.6 33.2 1.0 ND1 B:HIS433 4.8 27.1 1.0 N B:GLY327 4.9 26.6 1.0 CB B:CYS328 5.0 33.3 1.0 O B:HOH850 5.0 29.8 1.0 CA B:ASN241 5.0 26.3 1.0

L.Zhang, A.Wust, B.Prasser, C.Muller, O.Einsle. Functional Assembly of Nitrous Oxide Reductase Provides Insights Into Copper Site Maturation. Proc.Natl.Acad.Sci.Usa V. 116 12822 2019.
ISSN: ESSN 1091-6490
PubMed: 31189605
DOI: 10.1073/PNAS.1903819116