Chlorine in PDB 3sxq: Structure of A Hexameric Multiheme C Nitrite Reductase From the Extremophile Bacterium Thiolkalivibrio Paradoxus

The structure of Structure of A Hexameric Multiheme C Nitrite Reductase From the Extremophile Bacterium Thiolkalivibrio Paradoxus, PDB code: 3sxq was solved by K.M.Polyakov, A.A.Trofimov, T.V.Tikhonova, A.V.Tikhonov, K.M.Boyko, V.O.Popov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.90 / 1.90
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	193.640, 193.640, 193.640, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 16.2

The structure of Structure of A Hexameric Multiheme C Nitrite Reductase From the Extremophile Bacterium Thiolkalivibrio Paradoxus also contains other interesting chemical elements:

Cobalt	(Co)	4 atoms
Iron	(Fe)	16 atoms
Calcium	(Ca)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Structure of A Hexameric Multiheme C Nitrite Reductase From the Extremophile Bacterium Thiolkalivibrio Paradoxus (pdb code 3sxq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Hexameric Multiheme C Nitrite Reductase From the Extremophile Bacterium Thiolkalivibrio Paradoxus, PDB code: 3sxq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Hexameric Multiheme C Nitrite Reductase From the Extremophile Bacterium Thiolkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Hexameric Multiheme C Nitrite Reductase From the Extremophile Bacterium Thiolkalivibrio Paradoxus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl530 b:22.7 occ:1.00 ND1 A:HIS222 2.9 13.0 1.0 O A:HOH997 2.9 31.0 1.0 N A:TRP156 3.2 13.8 1.0 CA A:GLY154 3.3 10.2 1.0 C A:GLY154 3.4 11.5 1.0 CB A:TRP156 3.6 9.7 1.0 N A:ALA155 3.6 7.4 1.0 CD1 A:TRP156 3.7 11.8 1.0 CA A:TRP156 3.8 10.0 1.0 CG A:HIS222 3.8 13.6 1.0 CE1 A:HIS222 3.8 20.5 1.0 O A:GLY154 3.9 9.8 1.0 CB A:HIS222 3.9 8.9 1.0 N A:THR157 4.0 10.8 1.0 CG A:TRP156 4.1 7.9 1.0 C A:TRP156 4.2 12.4 1.0 C A:ALA155 4.2 12.6 1.0 CG2 A:THR157 4.3 14.9 1.0 CA A:HIS222 4.4 11.6 1.0 CA A:ALA155 4.5 7.2 1.0 N A:GLY154 4.7 11.9 1.0 O A:ARG153 4.8 14.8 1.0 O A:HOH707 4.9 42.3 1.0 O A:HIS222 4.9 13.1 1.0 NE2 A:HIS222 5.0 14.3 1.0 CD2 A:HIS222 5.0 21.1 1.0 NE1 A:TRP156 5.0 13.2 1.0

Chlorine binding site 2 out of 2 in the Structure of A Hexameric Multiheme C Nitrite Reductase From the Extremophile Bacterium Thiolkalivibrio Paradoxus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Hexameric Multiheme C Nitrite Reductase From the Extremophile Bacterium Thiolkalivibrio Paradoxus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl530 b:23.8 occ:1.00 O B:HOH999 2.9 34.9 1.0 ND1 B:HIS222 2.9 13.3 1.0 O B:HOH689 3.1 37.0 1.0 N B:TRP156 3.2 10.0 1.0 CA B:GLY154 3.3 13.4 1.0 C B:GLY154 3.4 9.2 1.0 N B:ALA155 3.6 11.0 1.0 CB B:TRP156 3.6 12.6 1.0 CD1 B:TRP156 3.7 16.1 1.0 CA B:TRP156 3.8 14.2 1.0 CG B:HIS222 3.9 13.2 1.0 CE1 B:HIS222 3.9 20.6 1.0 O B:GLY154 3.9 14.4 1.0 CB B:HIS222 4.0 9.2 1.0 N B:THR157 4.0 8.6 1.0 CG B:TRP156 4.0 12.0 1.0 C B:TRP156 4.2 13.8 1.0 C B:ALA155 4.2 11.3 1.0 CG2 B:THR157 4.4 13.9 1.0 CA B:HIS222 4.4 9.5 1.0 CA B:ALA155 4.5 8.9 1.0 N B:GLY154 4.7 9.1 1.0 O B:ARG153 4.8 14.8 1.0 O B:HIS222 4.9 11.1 1.0 NE1 B:TRP156 5.0 13.5 1.0

T.Tikhonova, A.Tikhonov, A.Trofimov, K.Polyakov, K.Boyko, E.Cherkashin, T.Rakitina, D.Sorokin, V.Popov. Comparative Structural and Functional Analysis of Two Octaheme Nitrite Reductases From Closely Related Thioalkalivibrio Species. Febs J. V. 279 4052 2012.
ISSN: ISSN 1742-464X
PubMed: 22935005
DOI: 10.1111/J.1742-4658.2012.08811.X