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Nickel in PDB 5odq: Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Bromoethanesulfonate.

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

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

Protein crystallography data

The structure of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus Soaked with Bromoethanesulfonate., PDB code: 5odq 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) 48.68 / 2.15
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 366.325, 97.352, 133.276, 90.00, 108.37, 90.00
R / Rfree (%) 19.6 / 21.9

Other elements in 5odq:

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

Bromine (Br) 4 atoms
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 Bromoethanesulfonate. (pdb code 5odq). 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 Bromoethanesulfonate., PDB code: 5odq:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in 5odq

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


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 Bromoethanesulfonate. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ni501

b:20.3
occ:1.00
NI F:NFU501 0.0 20.3 1.0
SG F:CYS64 2.1 20.8 1.0
SG F:CYS442 2.3 22.7 1.0
SG F:CYS61 2.4 21.7 1.0
FE F:NFU501 2.6 18.9 1.0
SG F:CYS445 2.8 27.7 1.0
CB F:CYS61 3.0 18.6 1.0
CB F:CYS445 3.2 23.4 1.0
CB F:CYS442 3.2 20.2 1.0
C2 F:NFU501 3.3 18.4 1.0
C1 F:NFU501 3.3 20.6 1.0
CB F:CYS64 3.5 18.7 1.0
N F:CYS64 3.9 18.8 1.0
N2 F:NFU501 4.1 17.2 1.0
N1 F:NFU501 4.2 21.5 1.0
CA F:CYS64 4.3 18.9 1.0
C3 F:NFU501 4.3 16.2 1.0
CA F:CYS445 4.5 22.4 1.0
CA F:CYS61 4.5 18.3 1.0
CB F:ILE63 4.6 21.1 1.0
NH1 F:ARG375 4.7 19.6 1.0
CA F:CYS442 4.7 20.1 1.0
CD F:ARG375 4.7 22.9 1.0
N F:CYS445 4.8 22.1 1.0
C F:ILE63 5.0 21.0 1.0
NE2 F:HIS68 5.0 19.6 1.0

Nickel binding site 2 out of 2 in 5odq

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


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 Bromoethanesulfonate. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ni501

b:13.5
occ:1.00
NI L:NFU501 0.0 13.5 1.0
SG L:CYS442 2.2 21.6 1.0
SG L:CYS64 2.3 12.6 1.0
SG L:CYS61 2.3 18.6 1.0
FE L:NFU501 2.6 15.6 1.0
SG L:CYS445 2.7 14.8 1.0
CB L:CYS61 3.0 14.3 1.0
CB L:CYS442 3.2 17.3 1.0
CB L:CYS445 3.3 11.7 1.0
C2 L:NFU501 3.3 18.1 1.0
C1 L:NFU501 3.4 12.9 1.0
CB L:CYS64 3.5 10.2 1.0
N L:CYS64 3.9 10.5 1.0
N2 L:NFU501 4.2 19.5 1.0
N1 L:NFU501 4.2 12.1 1.0
CA L:CYS64 4.3 10.2 1.0
C3 L:NFU501 4.4 17.3 1.0
CA L:CYS61 4.5 13.3 1.0
CA L:CYS445 4.5 12.1 1.0
NH1 L:ARG375 4.6 10.6 1.0
CA L:CYS442 4.7 16.4 1.0
CB L:ILE63 4.7 11.7 1.0
CD L:ARG375 4.7 11.2 1.0
N L:CYS445 4.8 13.1 1.0
N L:ILE63 4.9 10.4 1.0
C L:ILE63 4.9 13.0 1.0
C L:CYS64 5.0 14.5 1.0
C L:CYS61 5.0 15.4 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 06:43:42 2024

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