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:
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
Go back to
Nickel Binding Sites List in 6g94
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
|