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Magnesium in PDB 4ue6: Structure of Methylene Blue-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase

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

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

Protein crystallography data

The structure of Structure of Methylene Blue-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase, PDB code: 4ue6 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) 23.90 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 65.280, 99.550, 184.020, 90.00, 91.16, 90.00
R / Rfree (%) 15.066 / 18.141

Other elements in 4ue6:

The structure of Structure of Methylene Blue-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 Methylene Blue-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase (pdb code 4ue6). 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 Methylene Blue-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase, PDB code: 4ue6:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4ue6

Go back to Magnesium Binding Sites List in 4ue6
Magnesium binding site 1 out of 3 in the Structure of Methylene Blue-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 Methylene Blue-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Mg1553

b:24.8
occ:1.00
O Q:HOH2168 2.0 22.8 1.0
O Q:LEU495 2.0 23.2 1.0
O Q:HOH2030 2.1 23.4 1.0
O Q:HOH2029 2.1 22.8 1.0
OE2 Q:GLU53 2.2 25.6 1.0
NE2 Q:HIS549 2.2 20.0 1.0
CE1 Q:HIS549 3.1 18.9 1.0
CD Q:GLU53 3.1 25.2 1.0
C Q:LEU495 3.2 22.9 1.0
CD2 Q:HIS549 3.2 19.7 1.0
OE1 Q:GLU53 3.4 24.0 1.0
N Q:LEU495 3.6 22.1 1.0
CA Q:LEU495 3.9 23.5 1.0
OE2 Q:GLU334 4.0 29.5 1.0
OE1 Q:GLU334 4.0 28.4 1.0
OE1 Q:GLN494 4.1 25.9 1.0
CB Q:LEU495 4.2 22.1 1.0
ND1 Q:HIS549 4.3 18.9 1.0
O Q:HOH2192 4.3 18.0 1.0
N Q:VAL496 4.3 21.6 1.0
O Q:HOH2174 4.3 18.2 1.0
NZ Q:LYS372 4.3 22.6 1.0
CG Q:HIS549 4.4 20.2 1.0
CD Q:GLU334 4.5 28.6 1.0
CG Q:GLU53 4.5 24.0 1.0
CD Q:LYS372 4.5 20.9 1.0
CE Q:LYS372 4.6 22.2 1.0
CA Q:VAL496 4.7 21.2 1.0
C Q:GLN494 4.7 22.4 1.0
CA Q:GLN494 5.0 22.7 1.0

Magnesium binding site 2 out of 3 in 4ue6

Go back to Magnesium Binding Sites List in 4ue6
Magnesium binding site 2 out of 3 in the Structure of Methylene Blue-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 Methylene Blue-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Mg1553

b:31.0
occ:1.00
O R:HOH2035 2.0 29.1 1.0
O R:HOH2034 2.0 27.9 1.0
O R:HOH2144 2.0 26.4 1.0
O R:LEU495 2.1 21.5 1.0
OE2 R:GLU53 2.1 24.2 1.0
NE2 R:HIS549 2.3 21.4 1.0
CD R:GLU53 3.1 25.3 1.0
CE1 R:HIS549 3.2 20.9 1.0
C R:LEU495 3.3 21.1 1.0
CD2 R:HIS549 3.3 21.5 1.0
OE1 R:GLU53 3.4 24.5 1.0
N R:LEU495 3.7 22.4 1.0
CA R:LEU495 3.9 21.8 1.0
OE2 R:GLU334 4.0 25.7 1.0
OE1 R:GLN494 4.1 26.5 1.0
OE1 R:GLU334 4.1 25.5 1.0
CB R:LEU495 4.3 21.4 1.0
O R:HOH2151 4.3 19.1 1.0
ND1 R:HIS549 4.3 21.2 1.0
NZ R:LYS372 4.3 23.3 1.0
N R:VAL496 4.3 20.8 1.0
O R:HOH2171 4.4 16.0 1.0
CG R:HIS549 4.4 21.7 1.0
CG R:GLU53 4.5 25.0 1.0
CD R:LYS372 4.5 22.3 1.0
CD R:GLU334 4.5 25.4 1.0
CE R:LYS372 4.7 23.4 1.0
CA R:VAL496 4.7 21.1 1.0
C R:GLN494 4.7 24.0 1.0
CA R:GLN494 5.0 23.9 1.0

Magnesium binding site 3 out of 3 in 4ue6

Go back to Magnesium Binding Sites List in 4ue6
Magnesium binding site 3 out of 3 in the Structure of Methylene Blue-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 Methylene Blue-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Mg1553

b:30.8
occ:1.00
O S:HOH2019 2.0 32.5 1.0
O S:HOH2020 2.0 33.4 1.0
O S:HOH2101 2.0 33.6 1.0
OE2 S:GLU53 2.1 26.4 1.0
O S:LEU495 2.1 28.2 1.0
NE2 S:HIS549 2.2 28.2 1.0
CD S:GLU53 3.0 27.0 1.0
CE1 S:HIS549 3.1 28.1 1.0
CD2 S:HIS549 3.2 27.9 1.0
C S:LEU495 3.3 27.6 1.0
OE1 S:GLU53 3.3 26.4 1.0
N S:LEU495 3.7 27.2 1.0
CA S:LEU495 4.0 27.5 1.0
OE2 S:GLU334 4.0 37.1 1.0
OE1 S:GLN494 4.1 29.0 1.0
O S:HOH2106 4.1 28.7 1.0
OE1 S:GLU334 4.1 37.0 1.0
CB S:LEU495 4.2 27.3 1.0
ND1 S:HIS549 4.3 26.5 1.0
O S:HOH2121 4.3 25.1 1.0
NZ S:LYS372 4.3 26.3 1.0
CG S:HIS549 4.3 27.4 1.0
N S:VAL496 4.4 27.9 1.0
CG S:GLU53 4.4 27.9 1.0
CD S:LYS372 4.5 27.3 1.0
CD S:GLU334 4.5 37.1 1.0
CE S:LYS372 4.6 27.0 1.0
C S:GLN494 4.7 26.7 1.0
CA S:VAL496 4.8 27.4 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 04:39:17 2024

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