Nickel in PDB 1yrq: Structure of the Ready Oxidized Form of [Nife]-Hydrogenase
Enzymatic activity of Structure of the Ready Oxidized Form of [Nife]-Hydrogenase
All present enzymatic activity of Structure of the Ready Oxidized Form of [Nife]-Hydrogenase:
1.12.2.1;
Protein crystallography data
The structure of Structure of the Ready Oxidized Form of [Nife]-Hydrogenase, PDB code: 1yrq
was solved by
A.Volbeda,
L.Martin,
C.Cavazza,
M.Matho,
B.W.Faber,
W.Roseboom,
S.P.Albracht,
E.Garcin,
M.Rousset,
J.C.Fontecilla-Camps,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.10
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
127.500,
99.700,
183.200,
90.00,
91.80,
90.00
|
R / Rfree (%)
|
17.1 /
22
|
Other elements in 1yrq:
The structure of Structure of the Ready Oxidized Form of [Nife]-Hydrogenase also contains other interesting chemical elements:
Nickel Binding Sites:
The binding sites of Nickel atom in the Structure of the Ready Oxidized Form of [Nife]-Hydrogenase
(pdb code 1yrq). This binding sites where shown within
5.0 Angstroms radius around Nickel atom.
In total 6 binding sites of Nickel where determined in the
Structure of the Ready Oxidized Form of [Nife]-Hydrogenase, PDB code: 1yrq:
Jump to Nickel binding site number:
1;
2;
3;
4;
5;
6;
Nickel binding site 1 out
of 6 in 1yrq
Go back to
Nickel Binding Sites List in 1yrq
Nickel binding site 1 out
of 6 in the Structure of the Ready Oxidized Form of [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 the Ready Oxidized Form of [Nife]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Ni551
b:10.0
occ:1.00
|
O
|
H:HOH557
|
1.9
|
8.0
|
1.0
|
SG
|
H:CYS72
|
2.2
|
10.8
|
1.0
|
SG
|
H:CYS543
|
2.2
|
14.0
|
1.0
|
SG
|
H:CYS75
|
2.3
|
6.9
|
1.0
|
SG
|
H:CYS546
|
2.5
|
8.1
|
1.0
|
FE
|
H:FCO550
|
2.8
|
9.1
|
1.0
|
CB
|
H:CYS72
|
3.0
|
6.6
|
1.0
|
CB
|
H:CYS543
|
3.2
|
6.9
|
1.0
|
CB
|
H:CYS75
|
3.5
|
9.7
|
1.0
|
N
|
H:CYS75
|
3.5
|
7.2
|
1.0
|
CB
|
H:CYS546
|
3.5
|
5.6
|
1.0
|
C1
|
H:FCO550
|
3.9
|
9.1
|
1.0
|
C2
|
H:FCO550
|
4.0
|
10.4
|
1.0
|
CA
|
H:CYS75
|
4.0
|
9.6
|
1.0
|
NH1
|
H:ARG476
|
4.3
|
14.8
|
1.0
|
C3
|
H:FCO550
|
4.4
|
11.9
|
1.0
|
CA
|
H:CYS72
|
4.5
|
5.9
|
1.0
|
CB
|
H:VAL74
|
4.5
|
10.5
|
1.0
|
CA
|
H:CYS546
|
4.6
|
5.1
|
1.0
|
N
|
H:CYS546
|
4.6
|
5.5
|
1.0
|
C
|
H:VAL74
|
4.6
|
10.6
|
1.0
|
CA
|
H:CYS543
|
4.7
|
8.2
|
1.0
|
CZ
|
H:ARG476
|
4.7
|
11.4
|
1.0
|
CD
|
H:ARG476
|
4.7
|
10.2
|
1.0
|
N1
|
H:FCO550
|
4.8
|
13.7
|
1.0
|
C
|
H:CYS75
|
4.8
|
11.0
|
1.0
|
N
|
H:VAL74
|
4.9
|
9.4
|
1.0
|
NE
|
H:ARG476
|
4.9
|
11.7
|
1.0
|
O
|
H:CYS75
|
4.9
|
12.9
|
1.0
|
CA
|
H:VAL74
|
4.9
|
9.1
|
1.0
|
|
Nickel binding site 2 out
of 6 in 1yrq
Go back to
Nickel Binding Sites List in 1yrq
Nickel binding site 2 out
of 6 in the Structure of the Ready Oxidized Form of [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 the Ready Oxidized Form of [Nife]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Ni551
b:10.7
occ:1.00
|
O
|
I:HOH557
|
1.9
|
9.1
|
1.0
|
SG
|
I:CYS72
|
2.1
|
12.2
|
1.0
|
SG
|
I:CYS543
|
2.1
|
14.2
|
1.0
|
SG
|
I:CYS75
|
2.3
|
7.0
|
1.0
|
SG
|
I:CYS546
|
2.5
|
6.3
|
1.0
|
FE
|
I:FCO550
|
2.8
|
7.4
|
1.0
|
CB
|
I:CYS72
|
3.0
|
9.6
|
1.0
|
CB
|
I:CYS543
|
3.2
|
10.9
|
1.0
|
CB
|
I:CYS75
|
3.4
|
8.8
|
1.0
|
CB
|
I:CYS546
|
3.5
|
8.9
|
1.0
|
N
|
I:CYS75
|
3.6
|
8.9
|
1.0
|
C1
|
I:FCO550
|
3.9
|
3.3
|
1.0
|
CA
|
I:CYS75
|
4.1
|
8.8
|
1.0
|
C2
|
I:FCO550
|
4.1
|
5.2
|
1.0
|
C3
|
I:FCO550
|
4.3
|
9.1
|
1.0
|
NH1
|
I:ARG476
|
4.5
|
17.1
|
1.0
|
CA
|
I:CYS72
|
4.5
|
8.4
|
1.0
|
CA
|
I:CYS546
|
4.6
|
7.3
|
1.0
|
CB
|
I:VAL74
|
4.6
|
11.2
|
1.0
|
CA
|
I:CYS543
|
4.6
|
11.6
|
1.0
|
N
|
I:CYS546
|
4.6
|
9.5
|
1.0
|
CZ
|
I:ARG476
|
4.7
|
16.3
|
1.0
|
CD
|
I:ARG476
|
4.7
|
11.3
|
1.0
|
C
|
I:VAL74
|
4.8
|
10.5
|
1.0
|
NE
|
I:ARG476
|
4.8
|
13.0
|
1.0
|
C
|
I:CYS75
|
4.8
|
10.7
|
1.0
|
N1
|
I:FCO550
|
4.8
|
4.9
|
1.0
|
O
|
I:CYS75
|
4.9
|
10.3
|
1.0
|
N
|
I:VAL74
|
5.0
|
7.7
|
1.0
|
|
Nickel binding site 3 out
of 6 in 1yrq
Go back to
Nickel Binding Sites List in 1yrq
Nickel binding site 3 out
of 6 in the Structure of the Ready Oxidized Form of [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 the Ready Oxidized Form of [Nife]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Ni551
b:9.9
occ:1.00
|
O
|
J:HOH557
|
1.9
|
9.3
|
1.0
|
SG
|
J:CYS72
|
2.1
|
8.0
|
1.0
|
SG
|
J:CYS543
|
2.2
|
10.7
|
1.0
|
SG
|
J:CYS75
|
2.3
|
7.2
|
1.0
|
SG
|
J:CYS546
|
2.4
|
8.9
|
1.0
|
FE
|
J:FCO550
|
2.8
|
8.4
|
1.0
|
CB
|
J:CYS72
|
2.9
|
5.8
|
1.0
|
CB
|
J:CYS543
|
3.2
|
9.8
|
1.0
|
CB
|
J:CYS75
|
3.4
|
7.8
|
1.0
|
CB
|
J:CYS546
|
3.5
|
7.7
|
1.0
|
N
|
J:CYS75
|
3.6
|
7.9
|
1.0
|
C1
|
J:FCO550
|
3.9
|
9.9
|
1.0
|
C2
|
J:FCO550
|
4.0
|
7.8
|
1.0
|
CA
|
J:CYS75
|
4.0
|
5.4
|
1.0
|
C3
|
J:FCO550
|
4.4
|
11.4
|
1.0
|
CA
|
J:CYS72
|
4.4
|
8.5
|
1.0
|
NH1
|
J:ARG476
|
4.4
|
13.9
|
1.0
|
CA
|
J:CYS546
|
4.5
|
9.6
|
1.0
|
N
|
J:CYS546
|
4.5
|
9.3
|
1.0
|
CB
|
J:VAL74
|
4.6
|
8.5
|
1.0
|
CA
|
J:CYS543
|
4.7
|
8.5
|
1.0
|
CD
|
J:ARG476
|
4.7
|
7.0
|
1.0
|
C
|
J:VAL74
|
4.7
|
7.9
|
1.0
|
CZ
|
J:ARG476
|
4.8
|
9.4
|
1.0
|
C
|
J:CYS75
|
4.8
|
9.7
|
1.0
|
N1
|
J:FCO550
|
4.8
|
12.4
|
1.0
|
NE
|
J:ARG476
|
4.9
|
12.0
|
1.0
|
O
|
J:CYS75
|
4.9
|
8.6
|
1.0
|
N
|
J:VAL74
|
4.9
|
9.2
|
1.0
|
N2
|
J:FCO550
|
4.9
|
7.4
|
1.0
|
C
|
J:CYS72
|
5.0
|
6.9
|
1.0
|
|
Nickel binding site 4 out
of 6 in 1yrq
Go back to
Nickel Binding Sites List in 1yrq
Nickel binding site 4 out
of 6 in the Structure of the Ready Oxidized Form of [Nife]-Hydrogenase
 Mono view
 Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 4 of Structure of the Ready Oxidized Form of [Nife]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Ni551
b:11.4
occ:1.00
|
O
|
K:HOH557
|
1.9
|
10.7
|
1.0
|
SG
|
K:CYS72
|
2.2
|
9.7
|
1.0
|
SG
|
K:CYS543
|
2.2
|
12.0
|
1.0
|
SG
|
K:CYS75
|
2.3
|
7.3
|
1.0
|
SG
|
K:CYS546
|
2.5
|
7.5
|
1.0
|
FE
|
K:FCO550
|
2.7
|
9.1
|
1.0
|
CB
|
K:CYS72
|
3.1
|
8.6
|
1.0
|
CB
|
K:CYS543
|
3.2
|
8.3
|
1.0
|
CB
|
K:CYS75
|
3.3
|
6.0
|
1.0
|
N
|
K:CYS75
|
3.6
|
9.1
|
1.0
|
CB
|
K:CYS546
|
3.6
|
4.3
|
1.0
|
C1
|
K:FCO550
|
3.8
|
8.4
|
1.0
|
C2
|
K:FCO550
|
4.0
|
6.5
|
1.0
|
CA
|
K:CYS75
|
4.0
|
8.3
|
1.0
|
NH1
|
K:ARG476
|
4.1
|
11.5
|
1.0
|
C3
|
K:FCO550
|
4.3
|
10.3
|
1.0
|
CA
|
K:CYS72
|
4.5
|
7.8
|
1.0
|
CB
|
K:VAL74
|
4.6
|
5.2
|
1.0
|
CA
|
K:CYS543
|
4.6
|
8.7
|
1.0
|
CA
|
K:CYS546
|
4.7
|
6.3
|
1.0
|
N1
|
K:FCO550
|
4.7
|
8.5
|
1.0
|
N
|
K:CYS546
|
4.7
|
4.8
|
1.0
|
CZ
|
K:ARG476
|
4.7
|
7.8
|
1.0
|
C
|
K:VAL74
|
4.7
|
9.4
|
1.0
|
CD
|
K:ARG476
|
4.7
|
9.0
|
1.0
|
C
|
K:CYS75
|
4.8
|
9.5
|
1.0
|
NE
|
K:ARG476
|
4.9
|
9.5
|
1.0
|
O
|
K:CYS75
|
4.9
|
9.1
|
1.0
|
N
|
K:VAL74
|
4.9
|
6.7
|
1.0
|
N2
|
K:FCO550
|
4.9
|
12.4
|
1.0
|
|
Nickel binding site 5 out
of 6 in 1yrq
Go back to
Nickel Binding Sites List in 1yrq
Nickel binding site 5 out
of 6 in the Structure of the Ready Oxidized Form of [Nife]-Hydrogenase
 Mono view
 Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 5 of Structure of the Ready Oxidized Form of [Nife]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Ni551
b:8.7
occ:1.00
|
O
|
M:HOH557
|
1.9
|
10.6
|
1.0
|
SG
|
M:CYS543
|
2.1
|
9.3
|
1.0
|
SG
|
M:CYS72
|
2.1
|
12.1
|
1.0
|
SG
|
M:CYS75
|
2.3
|
7.1
|
1.0
|
SG
|
M:CYS546
|
2.5
|
7.5
|
1.0
|
FE
|
M:FCO550
|
2.9
|
6.7
|
1.0
|
CB
|
M:CYS72
|
3.0
|
7.2
|
1.0
|
CB
|
M:CYS543
|
3.1
|
5.7
|
1.0
|
CB
|
M:CYS75
|
3.5
|
9.2
|
1.0
|
CB
|
M:CYS546
|
3.5
|
5.1
|
1.0
|
N
|
M:CYS75
|
3.6
|
7.0
|
1.0
|
C1
|
M:FCO550
|
4.0
|
6.8
|
1.0
|
C2
|
M:FCO550
|
4.0
|
4.4
|
1.0
|
CA
|
M:CYS75
|
4.1
|
7.0
|
1.0
|
NH1
|
M:ARG476
|
4.3
|
6.7
|
1.0
|
C3
|
M:FCO550
|
4.4
|
6.0
|
1.0
|
CA
|
M:CYS72
|
4.5
|
8.3
|
1.0
|
CA
|
M:CYS543
|
4.6
|
7.3
|
1.0
|
CA
|
M:CYS546
|
4.6
|
6.9
|
1.0
|
CB
|
M:VAL74
|
4.6
|
10.3
|
1.0
|
N
|
M:CYS546
|
4.6
|
5.6
|
1.0
|
CD
|
M:ARG476
|
4.6
|
7.5
|
1.0
|
CZ
|
M:ARG476
|
4.7
|
9.2
|
1.0
|
C
|
M:VAL74
|
4.7
|
7.4
|
1.0
|
NE
|
M:ARG476
|
4.8
|
5.0
|
1.0
|
C
|
M:CYS75
|
4.9
|
8.7
|
1.0
|
N1
|
M:FCO550
|
4.9
|
7.9
|
1.0
|
N2
|
M:FCO550
|
5.0
|
7.7
|
1.0
|
N
|
M:VAL74
|
5.0
|
8.8
|
1.0
|
|
Nickel binding site 6 out
of 6 in 1yrq
Go back to
Nickel Binding Sites List in 1yrq
Nickel binding site 6 out
of 6 in the Structure of the Ready Oxidized Form of [Nife]-Hydrogenase
 Mono view
 Stereo pair view
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A full contact list of Nickel with other atoms in the Ni binding
site number 6 of Structure of the Ready Oxidized Form of [Nife]-Hydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
N:Ni551
b:13.0
occ:0.59
|
O
|
N:HOH557
|
1.9
|
9.9
|
0.6
|
SG
|
N:CYS543
|
2.2
|
11.3
|
0.6
|
SG
|
N:CYS72
|
2.2
|
10.2
|
0.6
|
SG
|
N:CYS75
|
2.5
|
5.6
|
0.6
|
SG
|
N:CYS546
|
2.7
|
5.4
|
0.6
|
FE
|
N:FCO550
|
2.8
|
7.1
|
0.6
|
CB
|
N:CYS72
|
3.0
|
8.5
|
0.6
|
CB
|
N:CYS543
|
3.0
|
9.5
|
0.6
|
CB
|
N:CYS75
|
3.2
|
7.9
|
0.6
|
CB
|
N:CYS546
|
3.3
|
8.2
|
0.6
|
N
|
N:CYS75
|
3.7
|
9.3
|
0.6
|
C1
|
N:FCO550
|
3.9
|
7.5
|
0.6
|
CA
|
N:CYS75
|
4.0
|
8.5
|
0.6
|
C2
|
N:FCO550
|
4.1
|
5.3
|
0.6
|
C3
|
N:FCO550
|
4.3
|
6.7
|
0.6
|
CA
|
N:CYS72
|
4.4
|
9.5
|
0.6
|
CA
|
N:CYS543
|
4.5
|
9.5
|
0.6
|
CB
|
N:VAL74
|
4.5
|
10.4
|
0.6
|
CA
|
N:CYS546
|
4.6
|
8.4
|
0.6
|
CD
|
N:ARG476
|
4.7
|
9.6
|
0.6
|
NH1
|
N:ARG476
|
4.7
|
11.0
|
0.6
|
OE1
|
N:GLU25
|
4.7
|
11.1
|
0.6
|
NE
|
N:ARG476
|
4.8
|
10.3
|
0.6
|
N
|
N:CYS546
|
4.8
|
9.2
|
0.6
|
N1
|
N:FCO550
|
4.8
|
9.6
|
0.6
|
CZ
|
N:ARG476
|
4.8
|
11.2
|
0.6
|
C
|
N:VAL74
|
4.8
|
10.0
|
0.6
|
C
|
N:CYS75
|
4.9
|
8.5
|
0.6
|
N
|
N:VAL74
|
4.9
|
9.8
|
0.6
|
C
|
N:CYS72
|
4.9
|
8.8
|
0.6
|
CG
|
N:GLU25
|
5.0
|
9.8
|
0.6
|
|
Reference:
A.Volbeda,
L.Martin,
C.Cavazza,
M.Matho,
B.W.Faber,
W.Roseboom,
S.P.Albracht,
E.Garcin,
M.Rousset,
J.C.Fontecilla-Camps.
Structural Differences Between the Ready and Unready Oxidized States of [Nife] Hydrogenases. J.Biol.Inorg.Chem. V. 10 239 2005.
ISSN: ISSN 0949-8257
PubMed: 15803334
DOI: 10.1007/S00775-005-0632-X
Page generated: Wed Oct 9 16:33:11 2024
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