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Magnesium in PDB 4ud6: Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase

Enzymatic activity of Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase

All present enzymatic activity of Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase:
1.12.2.1;

Protein crystallography data

The structure of Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase, PDB code: 4ud6 was solved by A.Volbeda, L.Martin, P.-P.Liebgott, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.99 / 2.12
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.940, 99.560, 183.940, 90.00, 91.31, 90.00
R / Rfree (%) 15.223 / 19.594

Other elements in 4ud6:

The structure of Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase also contains other interesting chemical elements:

Nickel (Ni) 3 atoms
Iron (Fe) 36 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase (pdb code 4ud6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase, PDB code: 4ud6:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4ud6

Go back to Magnesium Binding Sites List in 4ud6
Magnesium binding site 1 out of 3 in the Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Mg1553

b:15.8
occ:1.00
O Q:HOH2052 2.0 15.3 1.0
O Q:HOH2312 2.0 14.6 1.0
O Q:HOH2051 2.1 16.2 1.0
OE2 Q:GLU53 2.1 16.1 1.0
O Q:LEU495 2.2 16.7 1.0
NE2 Q:HIS549 2.2 15.6 1.0
CD Q:GLU53 3.1 15.8 1.0
CE1 Q:HIS549 3.1 15.4 1.0
CD2 Q:HIS549 3.3 14.9 1.0
C Q:LEU495 3.4 17.4 1.0
OE1 Q:GLU53 3.4 15.4 1.0
N Q:LEU495 3.8 17.4 1.0
OE1 Q:GLN494 4.0 17.7 1.0
CA Q:LEU495 4.1 17.5 1.0
OE2 Q:GLU334 4.1 17.3 1.0
O Q:HOH2346 4.2 17.7 1.0
NZ Q:LYS372 4.2 16.1 1.0
OE1 Q:GLU334 4.2 17.1 1.0
O Q:HOH2318 4.2 11.3 1.0
ND1 Q:HIS549 4.3 14.9 1.0
CB Q:LEU495 4.3 17.3 1.0
CG Q:HIS549 4.4 14.4 1.0
CG Q:GLU53 4.4 15.4 1.0
N Q:VAL496 4.4 16.7 1.0
CD Q:LYS372 4.6 15.8 1.0
CD Q:GLU334 4.6 17.2 1.0
CE Q:LYS372 4.6 15.9 1.0
CA Q:VAL496 4.8 16.9 1.0
C Q:GLN494 4.8 17.3 1.0
O Q:VAL548 5.0 13.9 1.0

Magnesium binding site 2 out of 3 in 4ud6

Go back to Magnesium Binding Sites List in 4ud6
Magnesium binding site 2 out of 3 in the Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Mg1553

b:19.4
occ:1.00
O R:HOH2049 2.0 19.7 1.0
O R:HOH2050 2.0 19.2 1.0
O R:HOH2275 2.0 18.4 1.0
OE2 R:GLU53 2.1 21.1 1.0
O R:LEU495 2.1 19.1 1.0
NE2 R:HIS549 2.3 19.8 1.0
CD R:GLU53 3.0 22.1 1.0
CE1 R:HIS549 3.1 19.4 1.0
OE1 R:GLU53 3.3 22.9 1.0
C R:LEU495 3.3 19.3 1.0
CD2 R:HIS549 3.4 20.4 1.0
N R:LEU495 3.8 20.5 1.0
CA R:LEU495 4.0 19.6 1.0
OE1 R:GLN494 4.0 22.2 1.0
OE2 R:GLU334 4.1 20.9 1.0
O R:HOH2284 4.2 19.1 1.0
NZ R:LYS372 4.2 18.2 1.0
O R:HOH2316 4.2 13.6 1.0
OE1 R:GLU334 4.2 22.2 1.0
ND1 R:HIS549 4.3 19.7 1.0
CB R:LEU495 4.3 19.5 1.0
N R:VAL496 4.4 18.8 1.0
CG R:GLU53 4.4 21.5 1.0
CG R:HIS549 4.4 19.9 1.0
CD R:LYS372 4.5 18.1 1.0
CD R:GLU334 4.6 21.3 1.0
CE R:LYS372 4.7 18.4 1.0
CA R:VAL496 4.7 18.6 1.0
C R:GLN494 4.8 21.1 1.0

Magnesium binding site 3 out of 3 in 4ud6

Go back to Magnesium Binding Sites List in 4ud6
Magnesium binding site 3 out of 3 in the Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Mg1553

b:25.1
occ:1.00
O S:HOH2023 2.0 26.1 1.0
O S:HOH2024 2.0 26.3 1.0
O S:HOH2196 2.0 24.7 1.0
OE2 S:GLU53 2.1 24.3 1.0
O S:LEU495 2.1 25.7 1.0
NE2 S:HIS549 2.2 24.1 1.0
CD S:GLU53 3.1 24.5 1.0
CE1 S:HIS549 3.1 24.0 1.0
CD2 S:HIS549 3.3 24.0 1.0
C S:LEU495 3.3 25.9 1.0
OE1 S:GLU53 3.4 24.7 1.0
N S:LEU495 3.8 26.3 1.0
OE1 S:GLN494 4.0 30.2 1.0
OE1 S:GLU334 4.0 29.2 1.0
CA S:LEU495 4.0 25.5 1.0
O S:HOH2203 4.1 27.2 1.0
OE2 S:GLU334 4.1 28.6 1.0
O S:HOH2222 4.2 30.4 1.0
NZ S:LYS372 4.2 29.1 1.0
ND1 S:HIS549 4.3 23.1 1.0
CB S:LEU495 4.3 24.7 1.0
CG S:HIS549 4.4 23.2 1.0
CD S:LYS372 4.4 28.4 1.0
N S:VAL496 4.4 25.8 1.0
CG S:GLU53 4.4 24.2 1.0
CD S:GLU334 4.5 29.6 1.0
CE S:LYS372 4.5 29.0 1.0
CA S:VAL496 4.8 25.9 1.0
C S:GLN494 4.8 27.0 1.0

Reference:

A.Volbeda, L.Martin, P.-P.Liebgott, A.L.De Lacey, J.C.Fontecilla-Camps. [Nife]-Hydrogenases Revisited: Nickel-Carboxamido Bond Formation in A Variant with Accrued O2-Tolerance and A Tentative Re-Interpretation of Ni-Si States. Metallomics 2015.
ISSN: ESSN 1756-591X
PubMed: 25780984
DOI: 10.1039/C4MT00309H
Page generated: Tue Aug 20 04:38:15 2024

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