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Nickel 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:

Magnesium (Mg) 3 atoms
Iron (Fe) 36 atoms

Nickel Binding Sites:

The binding sites of Nickel 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 Nickel atom.
In total 3 binding sites of Nickel where determined in the Structure of Methylviologen-Treated Anaerobically Purified D. Fructosovorans Nife-Hydrogenase, PDB code: 4ud6:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in 4ud6

Go back to Nickel Binding Sites List in 4ud6
Nickel 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 Nickel with other atoms in the Ni 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:Ni1551

b:19.0
occ:1.00
SG Q:CSO543 2.2 22.8 1.0
SG Q:CYS75 2.2 15.7 1.0
SG Q:CYS72 2.2 15.2 1.0
SG Q:CYS546 2.6 18.1 1.0
FE Q:FCO1550 2.6 16.4 1.0
OD Q:CSO543 3.0 19.9 0.5
CB Q:CYS72 3.0 13.9 1.0
CB Q:CSO543 3.3 19.3 1.0
CB Q:CYS75 3.4 15.1 1.0
N Q:CYS75 3.6 14.5 1.0
CB Q:CYS546 3.6 15.8 1.0
C1 Q:FCO1550 3.7 16.8 1.0
C2 Q:FCO1550 3.7 17.0 1.0
CA Q:CYS75 4.0 14.8 1.0
C3 Q:FCO1550 4.2 16.9 1.0
NH1 Q:ARG476 4.3 18.4 1.0
CD Q:ARG476 4.5 16.8 1.0
CA Q:CYS72 4.5 13.9 1.0
CZ Q:ARG476 4.6 18.1 1.0
CA Q:CSO543 4.6 18.9 1.0
NE Q:ARG476 4.6 17.7 1.0
N1 Q:FCO1550 4.6 16.0 1.0
N2 Q:FCO1550 4.7 18.8 1.0
CB Q:VAL74 4.7 14.7 1.0
CA Q:CYS546 4.7 16.5 1.0
C Q:VAL74 4.7 15.4 1.0
C Q:CYS75 4.8 14.6 1.0
N Q:CYS546 4.8 16.0 1.0
O Q:CYS75 4.8 15.1 1.0
N Q:VAL74 5.0 15.0 1.0

Nickel binding site 2 out of 3 in 4ud6

Go back to Nickel Binding Sites List in 4ud6
Nickel 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 Nickel with other atoms in the Ni 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:Ni1551

b:20.3
occ:1.00
SG R:CSO543 2.1 23.7 1.0
SG R:CYS75 2.2 20.6 1.0
SG R:CYS72 2.2 19.4 1.0
SG R:CYS546 2.5 18.7 1.0
FE R:FCO1550 2.6 18.8 1.0
OD R:CSO543 3.1 23.1 0.5
CB R:CYS72 3.2 20.8 1.0
CB R:CSO543 3.3 22.1 1.0
CB R:CYS75 3.3 19.4 1.0
CB R:CYS546 3.5 17.7 1.0
N R:CYS75 3.6 19.5 1.0
C1 R:FCO1550 3.7 17.3 1.0
C2 R:FCO1550 3.8 17.8 1.0
CA R:CYS75 4.0 20.2 1.0
C3 R:FCO1550 4.2 18.3 1.0
NH1 R:ARG476 4.2 18.5 1.0
CD R:ARG476 4.5 17.9 1.0
CZ R:ARG476 4.6 18.5 1.0
N1 R:FCO1550 4.6 16.6 1.0
CA R:CYS72 4.6 21.4 1.0
CA R:CSO543 4.6 21.4 1.0
CA R:CYS546 4.6 17.7 1.0
NE R:ARG476 4.6 18.0 1.0
N2 R:FCO1550 4.7 18.4 1.0
CB R:VAL74 4.7 19.5 1.0
N R:CYS546 4.8 17.9 1.0
C R:VAL74 4.8 20.0 1.0
C R:CYS75 4.8 20.6 1.0
O R:CYS75 4.9 21.9 1.0

Nickel binding site 3 out of 3 in 4ud6

Go back to Nickel Binding Sites List in 4ud6
Nickel 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 Nickel with other atoms in the Ni 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:Ni1551

b:21.8
occ:1.00
SG S:CSO543 2.1 25.9 1.0
SG S:CYS75 2.2 22.4 1.0
SG S:CYS72 2.2 23.1 1.0
FE S:FCO1550 2.6 22.5 1.0
SG S:CYS546 2.6 22.5 1.0
CB S:CYS72 3.0 21.1 1.0
OD S:CSO543 3.0 24.6 0.5
CB S:CSO543 3.3 24.0 1.0
CB S:CYS75 3.3 21.1 1.0
CB S:CYS546 3.6 22.4 1.0
N S:CYS75 3.6 20.0 1.0
C1 S:FCO1550 3.7 23.4 1.0
C2 S:FCO1550 3.7 22.4 1.0
CA S:CYS75 4.0 20.4 1.0
C3 S:FCO1550 4.1 22.6 1.0
NH1 S:ARG476 4.3 22.7 1.0
CA S:CYS72 4.5 20.9 1.0
CD S:ARG476 4.6 22.9 1.0
CB S:VAL74 4.6 20.1 1.0
N1 S:FCO1550 4.6 24.2 1.0
CA S:CSO543 4.6 23.8 1.0
N2 S:FCO1550 4.7 22.3 1.0
CZ S:ARG476 4.7 23.2 1.0
CA S:CYS546 4.7 22.1 1.0
NE S:ARG476 4.7 22.9 1.0
C S:CYS75 4.7 20.2 1.0
O S:CYS75 4.8 20.5 1.0
C S:VAL74 4.8 19.8 1.0
N S:CYS546 4.8 21.3 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: Wed Oct 9 19:12:12 2024

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