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

Protein crystallography data

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

Other elements in 3sxq:

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

Chlorine Binding Sites:

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 3sxq

Go back to Chlorine Binding Sites List in 3sxq
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 3sxq

Go back to Chlorine Binding Sites List in 3sxq
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

Reference:

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
Page generated: Sat Dec 12 10:11:07 2020

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