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Nickel in PDB 6b6y: Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, Dithionite-Reduced Then Oxygen-Exposed (Protein Batch 2), Oxidized C-Cluster

Enzymatic activity of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, Dithionite-Reduced Then Oxygen-Exposed (Protein Batch 2), Oxidized C-Cluster

All present enzymatic activity of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, Dithionite-Reduced Then Oxygen-Exposed (Protein Batch 2), Oxidized C-Cluster:
1.2.7.4;

Protein crystallography data

The structure of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, Dithionite-Reduced Then Oxygen-Exposed (Protein Batch 2), Oxidized C-Cluster, PDB code: 6b6y 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) 68.58 / 2.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 65.190, 76.120, 76.110, 75.84, 64.63, 64.49
R / Rfree (%) 17.6 / 22

Other elements in 6b6y:

The structure of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, Dithionite-Reduced Then Oxygen-Exposed (Protein Batch 2), Oxidized C-Cluster also contains other interesting chemical elements:

Iron (Fe) 18 atoms

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, Dithionite-Reduced Then Oxygen-Exposed (Protein Batch 2), Oxidized C-Cluster (pdb code 6b6y). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, Dithionite-Reduced Then Oxygen-Exposed (Protein Batch 2), Oxidized C-Cluster, PDB code: 6b6y:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in 6b6y

Go back to Nickel Binding Sites List in 6b6y
Nickel binding site 1 out of 2 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, Dithionite-Reduced Then Oxygen-Exposed (Protein Batch 2), Oxidized C-Cluster


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, Dithionite-Reduced Then Oxygen-Exposed (Protein Batch 2), Oxidized C-Cluster within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni702

b:49.5
occ:0.70
NI A:CUV702 0.0 49.5 0.7
NE2 A:HIS266 2.3 67.0 1.0
SG A:CYS519 2.5 41.5 0.5
NZ A:LYS556 2.5 56.2 1.0
SG A:CYS302 2.6 59.5 1.0
FE2 A:CUV702 2.8 77.3 1.0
CB A:CYS519 3.1 46.9 0.5
FE1 A:CUV702 3.2 80.2 1.0
CE1 A:HIS266 3.2 67.9 1.0
CB A:CYS519 3.2 46.8 0.5
CD2 A:HIS266 3.3 65.9 1.0
SG A:CYS519 3.5 53.6 0.5
S4 A:CUV702 3.8 67.1 1.0
CB A:CYS302 3.8 61.6 1.0
CE A:LYS556 3.8 55.8 1.0
ND1 A:HIS266 4.3 68.1 1.0
CA A:CYS519 4.3 44.6 0.5
N A:CYS519 4.3 42.6 0.5
CG A:HIS266 4.3 66.0 1.0
N A:CYS519 4.3 42.6 0.5
CA A:CYS519 4.4 44.6 0.5
SG A:CYS340 4.5 67.1 1.0
SG A:CYS301 4.6 65.6 1.0
S3 A:CUV702 4.6 0.9 1.0
FE3 A:CUV702 4.8 69.0 1.0
CD A:LYS556 4.9 54.6 1.0
CA A:CYS302 5.0 63.5 1.0

Nickel binding site 2 out of 2 in 6b6y

Go back to Nickel Binding Sites List in 6b6y
Nickel binding site 2 out of 2 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, Dithionite-Reduced Then Oxygen-Exposed (Protein Batch 2), Oxidized C-Cluster


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase, Dithionite-Reduced Then Oxygen-Exposed (Protein Batch 2), Oxidized C-Cluster within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni703

b:46.9
occ:0.70
NI B:CUV703 0.0 46.9 0.7
NE2 B:HIS266 2.3 68.4 1.0
SG B:CYS519 2.5 39.3 0.5
NZ B:LYS556 2.5 56.5 1.0
SG B:CYS302 2.6 53.3 1.0
FE2 B:CUV703 2.8 79.5 1.0
CB B:CYS519 3.1 46.4 0.5
CD2 B:HIS266 3.2 67.6 1.0
CE1 B:HIS266 3.2 70.2 1.0
CB B:CYS519 3.2 46.3 0.5
FE1 B:CUV703 3.3 88.8 1.0
SG B:CYS519 3.4 52.1 0.5
S4 B:CUV703 3.7 83.0 1.0
CB B:CYS302 3.8 54.6 1.0
CE B:LYS556 3.9 50.8 1.0
ND1 B:HIS266 4.3 70.0 1.0
CG B:HIS266 4.3 67.9 1.0
CA B:CYS519 4.4 45.0 0.5
N B:CYS519 4.4 45.0 0.5
N B:CYS519 4.4 44.9 0.5
CA B:CYS519 4.4 45.0 0.5
S3 B:CUV703 4.5 95.3 1.0
SG B:CYS340 4.6 67.8 1.0
SG B:CYS301 4.8 69.6 1.0
FE3 B:CUV703 4.8 73.2 1.0
CD B:LYS556 4.9 50.8 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: Thu Oct 10 08:19:07 2024

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