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Magnesium in PDB 5odc: Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus at 2.3 A Resolution

Enzymatic activity of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus at 2.3 A Resolution

All present enzymatic activity of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus at 2.3 A Resolution:
1.12.99.6; 1.8.98.1;

Protein crystallography data

The structure of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus at 2.3 A Resolution, PDB code: 5odc 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) 49.22 / 2.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 378.047, 98.446, 137.884, 90.00, 110.70, 90.00
R / Rfree (%) 17.8 / 20

Other elements in 5odc:

The structure of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus at 2.3 A Resolution also contains other interesting chemical elements:

Nickel (Ni) 2 atoms
Iron (Fe) 110 atoms
Calcium (Ca) 2 atoms
Sodium (Na) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus at 2.3 A Resolution (pdb code 5odc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus at 2.3 A Resolution, PDB code: 5odc:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5odc

Go back to Magnesium Binding Sites List in 5odc
Magnesium binding site 1 out of 2 in the Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus at 2.3 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus at 2.3 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg502

b:39.8
occ:1.00
OH F:TYR56 2.7 31.4 1.0
OD2 E:ASP279 2.7 36.2 1.0
OD2 F:ASP52 2.8 43.8 1.0
CE2 F:TYR56 3.2 29.6 1.0
N F:TYR49 3.2 31.4 1.0
CZ F:TYR56 3.3 33.4 1.0
CB F:ASP52 3.4 34.3 1.0
CB F:ARG48 3.4 26.4 1.0
CG F:ASP52 3.5 42.0 1.0
CD F:ARG48 3.7 28.5 1.0
CA F:ARG48 3.7 31.1 1.0
CA E:GLY282 3.9 28.2 1.0
CG E:ASP279 3.9 33.8 1.0
O E:GLY282 3.9 29.5 1.0
C F:ARG48 3.9 35.4 1.0
NE F:ARG48 4.0 30.6 1.0
C E:GLY282 4.0 30.0 1.0
CB F:TYR49 4.0 34.9 1.0
CG F:ARG48 4.1 27.5 1.0
CA F:TYR49 4.2 33.1 1.0
O F:TYR49 4.2 36.6 1.0
CD2 F:TYR49 4.4 38.9 1.0
CD2 F:TYR56 4.5 29.2 1.0
NZ E:LYS286 4.5 39.4 1.0
CG F:TYR49 4.6 38.5 1.0
CE E:LYS286 4.6 15.9 1.0
C F:TYR49 4.7 37.6 1.0
CE1 F:TYR56 4.7 29.1 1.0
OD1 E:ASP279 4.7 32.2 1.0
CB E:ASP279 4.8 33.8 1.0
OD1 F:ASP52 4.8 45.2 1.0
N E:SER283 4.8 28.4 1.0
CA F:ASP52 4.9 32.9 1.0

Magnesium binding site 2 out of 2 in 5odc

Go back to Magnesium Binding Sites List in 5odc
Magnesium binding site 2 out of 2 in the Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus at 2.3 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Heterodisulfide Reductase / [Nife]-Hydrogenase Complex From Methanothermococcus Thermolithotrophicus at 2.3 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mg201

b:44.8
occ:1.00
O I:HOH321 2.8 49.5 1.0
OD2 I:ASP73 3.1 69.4 1.0
N I:ARG53 3.4 35.3 1.0
O I:ARG53 3.7 38.0 1.0
CG I:ASP73 3.9 65.0 1.0
CB I:ASP73 3.9 52.6 1.0
CD1 I:TYR52 4.0 46.2 1.0
CA I:TYR52 4.1 42.0 1.0
O I:SER51 4.1 47.7 1.0
C I:TYR52 4.3 41.3 1.0
CA I:ARG53 4.3 33.8 1.0
CB I:LYS56 4.3 39.6 1.0
C I:ARG53 4.3 38.1 1.0
O I:HOH315 4.4 45.1 1.0
CB I:ARG53 4.5 33.0 1.0
CG2 I:VAL57 4.5 42.5 1.0
CE1 I:TYR52 4.6 46.3 1.0
C I:SER51 4.9 47.4 1.0
CG I:TYR52 4.9 44.7 1.0
N I:TYR52 4.9 42.9 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: Mon Sep 30 00:18:42 2024

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