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Nickel in PDB 6g94: Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B

Enzymatic activity of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B

All present enzymatic activity of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B:
1.12.99.6;

Protein crystallography data

The structure of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B, PDB code: 6g94 was solved by A.Volbeda, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 124.410, 165.030, 206.220, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 25.3

Other elements in 6g94:

The structure of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms
Iron (Fe) 50 atoms
Chlorine (Cl) 4 atoms

Nickel Binding Sites:

The binding sites of Nickel atom in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B (pdb code 6g94). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B, PDB code: 6g94:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in 6g94

Go back to Nickel Binding Sites List in 6g94
Nickel binding site 1 out of 4 in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ni602

b:39.7
occ:1.00
O L:HOH808 1.8 49.9 1.0
SG L:CYS576 2.1 35.0 1.0
SG L:CYS76 2.1 39.2 1.0
SG L:CYS79 2.3 41.8 1.0
SG L:CYS579 2.7 36.5 1.0
FE L:FCO601 2.7 39.5 1.0
CB L:CYS76 3.0 40.9 1.0
CB L:CYS576 3.1 38.0 1.0
CB L:CYS79 3.5 37.4 1.0
CB L:CYS579 3.5 36.2 1.0
N L:CYS79 3.8 39.1 1.0
C1 L:FCO601 3.8 46.1 1.0
C2 L:FCO601 4.0 39.3 1.0
C3 L:FCO601 4.2 43.2 1.0
CA L:CYS79 4.3 38.5 1.0
NH1 L:ARG509 4.3 37.8 1.0
CA L:CYS76 4.4 40.9 1.0
CA L:CYS576 4.6 41.5 1.0
CA L:CYS579 4.6 37.0 1.0
N L:CYS579 4.6 35.8 1.0
CZ L:ARG509 4.6 37.5 1.0
CB L:VAL78 4.6 37.1 1.0
N1 L:FCO601 4.8 50.5 1.0
CD L:ARG509 4.8 36.5 1.0
NE L:ARG509 4.8 35.6 1.0
C L:VAL78 4.9 41.3 1.0
N2 L:FCO601 4.9 39.5 1.0
OE1 L:GLU28 4.9 44.9 1.0

Nickel binding site 2 out of 4 in 6g94

Go back to Nickel Binding Sites List in 6g94
Nickel binding site 2 out of 4 in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Ni602

b:44.2
occ:1.00
O M:HOH812 1.8 42.9 1.0
SG M:CYS576 2.2 42.7 1.0
SG M:CYS76 2.2 46.4 1.0
SG M:CYS79 2.3 41.2 1.0
SG M:CYS579 2.6 52.9 1.0
FE M:FCO601 2.6 45.4 1.0
CB M:CYS76 3.0 47.6 1.0
CB M:CYS576 3.2 46.7 1.0
CB M:CYS79 3.4 43.2 1.0
CB M:CYS579 3.6 45.5 1.0
N M:CYS79 3.7 37.2 1.0
C1 M:FCO601 3.8 49.1 1.0
C2 M:FCO601 3.8 43.2 1.0
CA M:CYS79 4.2 41.1 1.0
C3 M:FCO601 4.2 46.2 1.0
NH1 M:ARG509 4.4 49.3 1.0
CA M:CYS76 4.5 48.3 1.0
CB M:VAL78 4.5 40.7 1.0
CA M:CYS576 4.6 46.4 1.0
CZ M:ARG509 4.7 48.8 1.0
CA M:CYS579 4.7 46.6 1.0
CD M:ARG509 4.7 42.5 1.0
N1 M:FCO601 4.7 48.9 1.0
N M:CYS579 4.7 46.8 1.0
C M:VAL78 4.8 38.9 1.0
N2 M:FCO601 4.8 42.2 1.0
NE M:ARG509 4.8 45.6 1.0
CA M:VAL78 5.0 40.5 1.0
N M:VAL78 5.0 40.5 1.0

Nickel binding site 3 out of 4 in 6g94

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Nickel binding site 3 out of 4 in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Ni602

b:43.8
occ:1.00
O J:HOH806 1.9 50.0 1.0
SG J:CYS576 2.1 53.5 1.0
SG J:CYS76 2.2 38.7 1.0
SG J:CYS79 2.3 46.7 1.0
SG J:CYS579 2.6 40.6 1.0
FE J:FCO601 2.7 42.8 1.0
CB J:CYS76 3.0 38.5 1.0
CB J:CYS576 3.2 42.1 1.0
CB J:CYS79 3.4 44.5 1.0
CB J:CYS579 3.6 39.6 1.0
N J:CYS79 3.7 45.6 1.0
C1 J:FCO601 3.8 41.8 1.0
C2 J:FCO601 3.9 41.3 1.0
CA J:CYS79 4.2 45.4 1.0
C3 J:FCO601 4.2 49.9 1.0
NH1 J:ARG509 4.3 41.6 1.0
CA J:CYS76 4.4 39.5 1.0
CB J:VAL78 4.5 40.1 1.0
CZ J:ARG509 4.6 45.5 1.0
CA J:CYS576 4.6 42.6 1.0
CA J:CYS579 4.6 40.9 1.0
N J:CYS579 4.6 41.6 1.0
N1 J:FCO601 4.7 42.0 1.0
CD J:ARG509 4.8 43.3 1.0
NE J:ARG509 4.8 43.6 1.0
N2 J:FCO601 4.8 42.3 1.0
C J:VAL78 4.8 47.7 1.0
OE1 J:GLU28 4.9 56.6 1.0
N J:VAL78 5.0 44.7 1.0

Nickel binding site 4 out of 4 in 6g94

Go back to Nickel Binding Sites List in 6g94
Nickel binding site 4 out of 4 in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Ni602

b:43.6
occ:1.00
O K:HOH805 1.9 51.3 1.0
SG K:CYS576 2.1 46.4 1.0
SG K:CYS76 2.2 46.3 1.0
SG K:CYS79 2.3 55.5 1.0
FE K:FCO601 2.7 43.0 1.0
SG K:CYS579 2.7 48.7 1.0
CB K:CYS76 2.9 41.5 1.0
CB K:CYS576 3.2 46.1 1.0
CB K:CYS79 3.3 48.6 1.0
CB K:CYS579 3.6 47.3 1.0
N K:CYS79 3.7 44.8 1.0
C2 K:FCO601 3.9 45.3 1.0
C1 K:FCO601 3.9 43.3 1.0
CA K:CYS79 4.1 44.6 1.0
C3 K:FCO601 4.2 41.0 1.0
NH1 K:ARG509 4.3 39.4 1.0
CA K:CYS76 4.4 40.5 1.0
CB K:VAL78 4.5 42.5 1.0
CA K:CYS576 4.7 46.0 1.0
CZ K:ARG509 4.7 41.3 1.0
CA K:CYS579 4.7 47.0 1.0
N K:CYS579 4.7 48.1 1.0
C K:VAL78 4.8 45.0 1.0
CD K:ARG509 4.8 44.7 1.0
N2 K:FCO601 4.8 46.6 1.0
N1 K:FCO601 4.8 41.4 1.0
NE K:ARG509 4.8 43.2 1.0
N K:VAL78 4.9 44.4 1.0
CA K:VAL78 5.0 44.9 1.0
C K:CYS79 5.0 43.3 1.0
C K:CYS76 5.0 40.6 1.0

Reference:

A.Volbeda, J.M.Mouesca, C.Darnault, M.M.Roessler, A.Parkin, F.A.Armstrong, J.C.Fontecilla-Camps. X-Ray Structural, Functional and Computational Studies of the O2-Sensitive E. Coli Hydrogenase-1 C19G Variant Reveal An Unusual [4FE-4S] Cluster. Chem. Commun. (Camb.) V. 54 7175 2018.
ISSN: ESSN 1364-548X
PubMed: 29888350
DOI: 10.1039/C8CC02896F
Page generated: Thu Oct 10 08:28:44 2024

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