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Nickel in PDB 5odr: Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 2 Minutes.

Enzymatic activity of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 2 Minutes.

All present enzymatic activity of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 2 Minutes.:
1.12.99.6; 1.8.98.1;

Protein crystallography data

The structure of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 2 Minutes., PDB code: 5odr 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) 90.26 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 366.219, 96.920, 134.450, 90.00, 108.30, 90.00
R / Rfree (%) 20.4 / 22.5

Other elements in 5odr:

The structure of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 2 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 2 Minutes. (pdb code 5odr). 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 2 Minutes., PDB code: 5odr:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in 5odr

Go back to Nickel Binding Sites List in 5odr
Nickel binding site 1 out of 2 in the Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 2 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 2 Minutes. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ni501

b:31.8
occ:1.00
NI F:NFU501 0.0 31.8 1.0
SG F:CYS64 2.2 31.5 1.0
SG F:CYS61 2.2 31.4 1.0
SG F:CYS442 2.3 30.7 1.0
FE F:NFU501 2.6 31.1 1.0
SG F:CYS445 2.9 36.6 1.0
CB F:CYS61 3.0 27.0 1.0
CB F:CYS445 3.4 32.5 1.0
CB F:CYS442 3.4 27.8 1.0
C2 F:NFU501 3.4 28.9 1.0
C1 F:NFU501 3.4 32.4 1.0
CB F:CYS64 3.4 28.1 1.0
N F:CYS64 3.8 28.3 1.0
CA F:CYS64 4.2 27.7 1.0
N1 F:NFU501 4.3 29.0 1.0
N2 F:NFU501 4.3 28.2 1.0
C3 F:NFU501 4.3 28.8 1.0
CA F:CYS61 4.5 27.9 1.0
CB F:ILE63 4.5 30.0 1.0
CA F:CYS445 4.6 31.5 1.0
NH1 F:ARG375 4.7 36.8 1.0
CD F:ARG375 4.7 30.1 1.0
CA F:CYS442 4.8 28.5 1.0
C F:ILE63 4.9 30.7 1.0
N F:ILE63 4.9 29.3 1.0
C F:CYS64 4.9 29.9 1.0
C F:CYS61 5.0 30.2 1.0
NE2 F:HIS68 5.0 29.6 1.0
N F:CYS445 5.0 31.4 1.0

Nickel binding site 2 out of 2 in 5odr

Go back to Nickel Binding Sites List in 5odr
Nickel binding site 2 out of 2 in the Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Heterodisulfide For 2 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 2 Minutes. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ni501

b:31.6
occ:1.00
NI L:NFU501 0.0 31.6 1.0
SG L:CYS442 2.2 33.6 1.0
SG L:CYS61 2.3 28.0 1.0
SG L:CYS64 2.3 28.6 1.0
FE L:NFU501 2.6 28.2 1.0
SG L:CYS445 2.9 32.2 1.0
CB L:CYS61 3.1 25.3 1.0
CB L:CYS442 3.2 30.1 1.0
C2 L:NFU501 3.4 29.1 1.0
C1 L:NFU501 3.4 26.7 1.0
CB L:CYS445 3.4 28.1 1.0
CB L:CYS64 3.5 25.3 1.0
N L:CYS64 3.9 26.4 1.0
N2 L:NFU501 4.2 30.2 1.0
N1 L:NFU501 4.2 26.5 1.0
CA L:CYS64 4.3 25.6 1.0
C3 L:NFU501 4.4 29.2 1.0
CB L:ILE63 4.5 28.8 1.0
NH1 L:ARG375 4.6 27.1 1.0
CA L:CYS61 4.6 25.3 1.0
CD L:ARG375 4.6 31.0 1.0
CA L:CYS442 4.6 29.6 1.0
CA L:CYS445 4.7 27.9 1.0
C L:ILE63 4.9 31.1 1.0
N L:ILE63 5.0 27.4 1.0
NE L:ARG375 5.0 21.1 1.0
N L:CYS445 5.0 27.5 1.0
CZ L:ARG375 5.0 30.9 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 06:44:00 2024

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