Chlorine in PDB 3sbq: Pseudomonas Stutzeri Nitrous Oxide Reductase, P65 Crystal Form

All present enzymatic activity of Pseudomonas Stutzeri Nitrous Oxide Reductase, P65 Crystal Form:
1.7.99.6;

The structure of Pseudomonas Stutzeri Nitrous Oxide Reductase, P65 Crystal Form, PDB code: 3sbq was solved by A.Pomowski, W.G.Zumft, P.M.H.Kroneck, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.70
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	70.373, 70.373, 400.104, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 21.3

The structure of Pseudomonas Stutzeri Nitrous Oxide Reductase, P65 Crystal Form also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Pseudomonas Stutzeri Nitrous Oxide Reductase, P65 Crystal Form (pdb code 3sbq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pseudomonas Stutzeri Nitrous Oxide Reductase, P65 Crystal Form, PDB code: 3sbq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pseudomonas Stutzeri Nitrous Oxide Reductase, P65 Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Stutzeri Nitrous Oxide Reductase, P65 Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:33.8 occ:1.00 NH1 A:ARG181 3.0 32.8 1.0 N A:CYS328 3.3 24.8 1.0 O A:HOH858 3.4 45.0 1.0 ND1 A:HIS382 3.4 31.9 1.0 ND2 A:ASN241 3.5 32.2 1.0 O A:CYS328 3.5 25.4 1.0 ND2 A:ASN329 3.5 27.0 1.0 NH2 A:ARG181 3.6 33.4 1.0 CG A:ASN241 3.6 27.5 1.0 CB A:ASN241 3.6 25.3 1.0 CE1 A:HIS382 3.7 32.0 1.0 CZ A:ARG181 3.7 32.5 1.0 CA A:GLY327 3.8 24.0 1.0 C A:GLY327 4.0 24.8 1.0 OD1 A:ASN329 4.0 24.4 1.0 C A:CYS328 4.0 25.6 1.0 CG A:ASN329 4.1 26.6 1.0 CA A:CYS328 4.2 26.2 1.0 OD1 A:ASN241 4.4 32.2 1.0 CE1 A:HIS433 4.4 31.4 1.0 O A:HOH1018 4.5 27.4 1.0 ND1 A:HIS433 4.7 30.3 1.0 CG A:HIS382 4.7 26.9 1.0 CB A:CYS328 4.8 25.9 1.0 N A:ASN329 4.9 25.1 1.0 CA A:ASN241 5.0 24.5 1.0 O A:HOH716 5.0 41.3 1.0 N A:GLY327 5.0 24.1 1.0 NE2 A:HIS382 5.0 32.5 1.0

Chlorine binding site 2 out of 2 in the Pseudomonas Stutzeri Nitrous Oxide Reductase, P65 Crystal Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pseudomonas Stutzeri Nitrous Oxide Reductase, P65 Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl704 b:34.9 occ:1.00 CE1 B:HIS382 2.8 10.9 0.5 ND1 B:HIS382 2.9 15.3 0.5 ND1 B:HIS382 3.0 23.1 0.5 CE1 B:HIS382 3.2 23.5 0.5 N B:CYS328 3.2 23.9 1.0 NH1 B:ARG181 3.3 33.9 1.0 ND2 B:ASN329 3.5 24.2 1.0 CA B:GLY327 3.7 22.4 1.0 O B:CYS328 3.7 23.1 1.0 CB B:ASN241 3.7 22.0 1.0 OD1 B:ASN329 3.8 25.6 1.0 CG B:ASN241 3.8 26.0 1.0 OD1 B:ASN241 3.9 31.7 1.0 CG B:ASN329 3.9 23.9 1.0 NH2 B:ARG181 3.9 35.8 1.0 C B:GLY327 4.0 22.8 1.0 C B:CYS328 4.0 24.0 1.0 NE2 B:HIS382 4.1 16.7 0.5 CZ B:ARG181 4.1 34.5 1.0 CE1 B:HIS433 4.1 33.5 1.0 CA B:CYS328 4.2 24.8 1.0 CG B:HIS382 4.3 16.9 0.5 CG B:HIS382 4.4 23.1 0.5 NE2 B:HIS382 4.5 25.7 0.5 ND2 B:ASN241 4.5 31.8 1.0 O B:HOH851 4.6 24.2 1.0 NE2 B:HIS433 4.7 34.8 1.0 CD2 B:HIS382 4.8 14.5 0.5 CB B:CYS328 4.8 25.3 1.0 ND1 B:HIS433 4.8 32.4 1.0 N B:GLY327 4.9 22.4 1.0 N B:ASN329 4.9 23.4 1.0 O B:HIS326 4.9 23.6 1.0

A.Pomowski, W.G.Zumft, P.M.Kroneck, O.Einsle. N2O Binding at A [4CU:2S] Copper-Sulphur Cluster in Nitrous Oxide Reductase. Nature V. 477 234 2011.
ISSN: ISSN 0028-0836
PubMed: 21841804
DOI: 10.1038/NATURE10332