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Chlorine in PDB 6b6w: Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, As-Isolated (Protein Batch 2), Oxidized C-Cluster

Enzymatic activity of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, As-Isolated (Protein Batch 2), Oxidized C-Cluster

All present enzymatic activity of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, As-Isolated (Protein Batch 2), Oxidized C-Cluster:
1.2.7.4;

Protein crystallography data

The structure of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, As-Isolated (Protein Batch 2), Oxidized C-Cluster, PDB code: 6b6w was solved by E.C.Wittenborn, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.90 / 1.72
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.430, 155.230, 66.570, 90.00, 102.85, 90.00
R / Rfree (%) 15.1 / 17.6

Other elements in 6b6w:

The structure of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, As-Isolated (Protein Batch 2), Oxidized C-Cluster also contains other interesting chemical elements:

Nickel (Ni) 2 atoms
Magnesium (Mg) 4 atoms
Iron (Fe) 26 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, As-Isolated (Protein Batch 2), Oxidized C-Cluster (pdb code 6b6w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, As-Isolated (Protein Batch 2), Oxidized C-Cluster, PDB code: 6b6w:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6b6w

Go back to Chlorine Binding Sites List in 6b6w
Chlorine binding site 1 out of 2 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, As-Isolated (Protein Batch 2), Oxidized C-Cluster


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, As-Isolated (Protein Batch 2), Oxidized C-Cluster within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl707

b:24.1
occ:1.00
 O B:HOH1112 3.2 24.1 1.0
N B:ALA144 3.2 19.2 1.0
CA B:PRO143 3.7 14.8 1.0
CB B:ALA144 4.0 14.4 1.0
C B:PRO143 4.0 16.7 1.0
O B:HOH1241 4.1 30.5 1.0
CA B:ALA144 4.2 14.9 1.0
CB B:PRO143 4.2 19.9 1.0
NH1 B:ARG128 4.5 17.7 1.0
N B:PRO143 5.0 16.9 1.0

Chlorine binding site 2 out of 2 in 6b6w

Go back to Chlorine Binding Sites List in 6b6w
Chlorine binding site 2 out of 2 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, As-Isolated (Protein Batch 2), Oxidized C-Cluster


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, As-Isolated (Protein Batch 2), Oxidized C-Cluster within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl708

b:34.9
occ:1.00
 O B:HOH1228 2.9 36.9 1.0
N B:ASN164 3.1 14.9 1.0
NH2 B:ARG163 3.4 31.6 1.0
NE B:ARG163 3.6 24.0 1.0
CZ B:ARG163 3.7 33.3 1.0
N B:ALA165 3.7 13.0 1.0
O B:ALA165 3.8 14.4 1.0
CA B:ARG163 3.8 10.8 1.0
CB B:ARG163 3.9 9.6 1.0
CA B:ASN164 3.9 17.9 1.0
C B:ARG163 3.9 17.7 1.0
CB B:ASN164 4.0 20.6 1.0
C B:ASN164 4.3 14.1 1.0
O B:HOH1005 4.3 22.6 1.0
O B:HOH1247 4.4 42.4 1.0
O B:HOH1163 4.6 49.6 1.0
CD B:ARG163 4.6 16.8 1.0
C B:ALA165 4.7 14.0 1.0
CA B:ALA165 4.7 13.4 1.0
NH1 B:ARG163 4.7 30.4 1.0
CG B:ASN164 4.8 31.9 1.0
ND2 B:ASN164 4.8 34.1 1.0
CG B:ARG163 4.8 15.7 1.0

Reference:

E.C.Wittenborn, M.Merrouch, C.Ueda, L.Fradale, C.Leger, V.Fourmond, M.E.Pandelia, S.Dementin, C.L.Drennan. Redox-Dependent Rearrangements of the Nifes Cluster of Carbon Monoxide Dehydrogenase. Elife V. 7 2018.
ISSN: ESSN 2050-084X
PubMed: 30277213
DOI: 10.7554/ELIFE.39451
Page generated: Sat Jul 12 11:43:48 2025

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