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Nickel in PDB 5odh: Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 3.5 Minutes

Enzymatic activity of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 3.5 Minutes

All present enzymatic activity of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 3.5 Minutes:
1.12.1.2; 1.8.98.1;

Protein crystallography data

The structure of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 3.5 Minutes, PDB code: 5odh was solved by T.Wagner, J.Koch, U.Ermler, S.Shima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.55 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 366.381, 97.104, 133.974, 90.00, 108.43, 90.00
R / Rfree (%) 21.4 / 24.5

Other elements in 5odh:

The structure of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 3.5 Minutes also contains other interesting chemical elements:

Iron (Fe) 113 atoms

Nickel Binding Sites:

The binding sites of Nickel atom in the Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 3.5 Minutes (pdb code 5odh). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 3.5 Minutes, PDB code: 5odh:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in 5odh

Go back to Nickel Binding Sites List in 5odh
Nickel binding site 1 out of 2 in the Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 3.5 Minutes


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 3.5 Minutes within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ni503

b:23.8
occ:1.00
NI F:NFU503 0.0 23.8 1.0
FE F:NFU503 2.6 24.4 1.0
SG F:CYS64 2.7 31.0 1.0
SG F:CYS442 2.7 26.5 1.0
SG F:CYS61 2.8 33.4 1.0
SG F:CYS445 3.0 33.9 1.0
C1 F:NFU503 3.2 23.6 1.0
CB F:CYS61 3.3 28.7 1.0
CB F:CYS64 3.4 30.4 1.0
C2 F:NFU503 3.4 19.8 1.0
CB F:CYS442 3.4 28.9 1.0
CB F:CYS445 3.5 25.8 1.0
N F:CYS64 3.9 20.2 1.0
N1 F:NFU503 4.0 23.1 1.0
C3 F:NFU503 4.2 14.2 1.0
CA F:CYS64 4.2 27.9 1.0
N2 F:NFU503 4.3 21.1 1.0
CD F:ARG375 4.6 31.1 1.0
CB F:ILE63 4.6 22.1 1.0
NH1 F:ARG375 4.6 13.1 1.0
CA F:CYS61 4.8 25.8 1.0
CA F:CYS445 4.8 27.9 1.0
C F:ILE63 4.9 27.6 1.0
CA F:CYS442 4.9 24.4 1.0
NE F:ARG375 4.9 26.1 1.0
NE2 F:HIS68 5.0 13.2 1.0
CZ F:ARG375 5.0 19.3 1.0

Nickel binding site 2 out of 2 in 5odh

Go back to Nickel Binding Sites List in 5odh
Nickel binding site 2 out of 2 in the Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 3.5 Minutes


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 3.5 Minutes within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ni502

b:25.0
occ:1.00
NI L:NFU502 0.0 25.0 1.0
FE L:NFU502 2.6 21.5 1.0
SG L:CYS442 2.7 30.1 1.0
SG L:CYS64 2.7 30.5 1.0
SG L:CYS61 2.8 23.9 1.0
SG L:CYS445 3.0 26.4 1.0
CB L:CYS61 3.2 17.2 1.0
CB L:CYS442 3.3 23.1 1.0
C1 L:NFU502 3.3 29.6 1.0
C2 L:NFU502 3.3 20.2 1.0
CB L:CYS445 3.4 21.3 1.0
CB L:CYS64 3.6 20.1 1.0
N L:CYS64 4.1 18.2 1.0
N1 L:NFU502 4.2 23.3 1.0
N2 L:NFU502 4.2 22.6 1.0
C3 L:NFU502 4.2 25.3 1.0
CA L:CYS64 4.4 16.2 1.0
CD L:ARG375 4.6 20.6 1.0
CB L:ILE63 4.6 22.8 1.0
CA L:CYS445 4.6 24.7 1.0
CA L:CYS61 4.7 16.4 1.0
CA L:CYS442 4.8 21.7 1.0
NH1 L:ARG375 4.8 12.4 1.0
N L:CYS445 4.9 18.9 1.0
NE2 L:HIS68 5.0 16.9 1.0
NE L:ARG375 5.0 21.1 1.0

Reference:

T.Wagner, J.Koch, U.Ermler, S.Shima. Methanogenic Heterodisulfide Reductase (Hdrabc-Mvhagd) Uses Two Noncubane [4FE-4S] Clusters For Reduction. Science V. 357 699 2017.
ISSN: ESSN 1095-9203
PubMed: 28818947
DOI: 10.1126/SCIENCE.AAN0425
Page generated: Thu Oct 10 06:43:29 2024

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