Nickel in PDB 1oao: Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase
Enzymatic activity of Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase
All present enzymatic activity of Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase:
1.2.7.4;
1.2.99.2;
2.3.1.169;
Protein crystallography data
The structure of Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase, PDB code: 1oao
was solved by
C.Darnault,
A.Volbeda,
E.J.Kim,
P.Legrand,
X.Vernede,
P.A.Lindahl,
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 /
1.90
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
244.570,
81.890,
167.220,
90.00,
96.19,
90.00
|
R / Rfree (%)
|
14.7 /
17.9
|
Other elements in 1oao:
The structure of Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase also contains other interesting chemical elements:
Nickel Binding Sites:
The binding sites of Nickel atom in the Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase
(pdb code 1oao). This binding sites where shown within
5.0 Angstroms radius around Nickel atom.
In total 6 binding sites of Nickel where determined in the
Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase, PDB code: 1oao:
Jump to Nickel binding site number:
1;
2;
3;
4;
5;
6;
Nickel binding site 1 out
of 6 in 1oao
Go back to
Nickel Binding Sites List in 1oao
Nickel binding site 1 out
of 6 in the Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 1 of Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ni1677
b:23.3
occ:0.50
|
NI
|
A:XCC1677
|
0.0
|
23.3
|
0.5
|
C
|
A:FOR1678
|
1.7
|
23.3
|
0.5
|
S1
|
A:XCC1677
|
2.3
|
17.7
|
0.8
|
S2
|
A:XCC1677
|
2.3
|
19.5
|
0.8
|
SG
|
A:CYS550
|
2.3
|
14.5
|
0.5
|
FE4
|
A:XCC1677
|
2.7
|
19.9
|
0.8
|
O
|
A:FOR1678
|
2.8
|
23.5
|
0.5
|
SG
|
A:CYS550
|
3.3
|
13.8
|
0.2
|
CB
|
A:CYS550
|
3.5
|
10.9
|
0.2
|
CB
|
A:CYS550
|
3.5
|
11.0
|
0.5
|
FE1
|
A:XCC1677
|
3.6
|
24.4
|
0.7
|
FE
|
A:FE21700
|
3.6
|
22.5
|
0.3
|
CB
|
A:CYS550
|
3.6
|
11.0
|
0.2
|
FE2
|
A:XCC1677
|
3.7
|
17.9
|
0.8
|
FE3
|
A:XCC1677
|
3.9
|
18.3
|
0.8
|
O
|
A:HOH2258
|
4.1
|
15.7
|
1.0
|
SG
|
A:CYS550
|
4.3
|
13.0
|
0.2
|
CA
|
A:GLY469
|
4.3
|
17.6
|
1.0
|
SG
|
A:CYS470
|
4.3
|
21.4
|
1.0
|
S4
|
A:XCC1677
|
4.4
|
17.7
|
0.8
|
OG
|
A:SER585
|
4.6
|
17.6
|
1.0
|
C
|
A:GLY469
|
4.6
|
17.9
|
1.0
|
S3
|
A:XCC1677
|
4.7
|
17.5
|
0.8
|
NZ
|
A:LYS587
|
4.7
|
21.2
|
1.0
|
N
|
A:GLY469
|
4.8
|
16.0
|
1.0
|
CA
|
A:CYS550
|
4.8
|
11.1
|
1.0
|
CB
|
A:LYS587
|
4.8
|
11.6
|
1.0
|
CE
|
A:LYS587
|
4.9
|
20.9
|
1.0
|
SG
|
A:CYS317
|
4.9
|
17.6
|
1.0
|
NE2
|
A:HIS283
|
4.9
|
20.3
|
1.0
|
N
|
A:CYS470
|
5.0
|
18.8
|
1.0
|
|
Nickel binding site 2 out
of 6 in 1oao
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Nickel Binding Sites List in 1oao
Nickel binding site 2 out
of 6 in the Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 2 of Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ni1677
b:23.6
occ:0.50
|
NI
|
B:XCC1677
|
0.0
|
23.6
|
0.5
|
C
|
B:FOR1678
|
1.7
|
23.8
|
0.5
|
S1
|
B:XCC1677
|
2.3
|
19.9
|
0.8
|
SG
|
B:CYS550
|
2.3
|
16.2
|
0.5
|
S4
|
B:XCC1677
|
2.4
|
18.8
|
0.8
|
FE3
|
B:XCC1677
|
2.7
|
17.1
|
0.8
|
O
|
B:FOR1678
|
2.8
|
24.1
|
0.5
|
SG
|
B:CYS550
|
3.4
|
16.5
|
0.2
|
FE2
|
B:XCC1677
|
3.5
|
22.0
|
0.7
|
CB
|
B:CYS550
|
3.5
|
12.9
|
0.2
|
CB
|
B:CYS550
|
3.5
|
13.0
|
0.5
|
CB
|
B:CYS550
|
3.6
|
13.0
|
0.2
|
FE
|
B:FE21700
|
3.6
|
20.5
|
0.3
|
FE1
|
B:XCC1677
|
3.8
|
17.6
|
0.8
|
FE4
|
B:XCC1677
|
4.0
|
18.4
|
0.8
|
O
|
B:HOH2271
|
4.0
|
12.3
|
1.0
|
SG
|
B:CYS550
|
4.3
|
14.8
|
0.2
|
SG
|
B:CYS470
|
4.3
|
19.6
|
1.0
|
S3
|
B:XCC1677
|
4.4
|
17.1
|
0.8
|
CA
|
B:GLY469
|
4.4
|
16.8
|
1.0
|
OG
|
B:SER585
|
4.6
|
15.2
|
1.0
|
NZ
|
B:LYS587
|
4.6
|
20.4
|
1.0
|
C
|
B:GLY469
|
4.7
|
17.2
|
1.0
|
S2
|
B:XCC1677
|
4.7
|
17.4
|
0.8
|
N
|
B:GLY469
|
4.7
|
15.5
|
1.0
|
CA
|
B:CYS550
|
4.8
|
13.3
|
1.0
|
CB
|
B:LYS587
|
4.8
|
11.0
|
1.0
|
CD1
|
B:ILE591
|
4.9
|
6.8
|
1.0
|
CE
|
B:LYS587
|
4.9
|
14.9
|
1.0
|
NE2
|
B:HIS283
|
4.9
|
19.0
|
1.0
|
N
|
B:CYS470
|
5.0
|
18.0
|
1.0
|
SG
|
B:CYS317
|
5.0
|
17.5
|
1.0
|
|
Nickel binding site 3 out
of 6 in 1oao
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Nickel Binding Sites List in 1oao
Nickel binding site 3 out
of 6 in the Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 3 of Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ni1732
b:9.2
occ:1.00
|
N
|
C:CYS597
|
2.0
|
8.3
|
1.0
|
N
|
C:GLY596
|
2.0
|
8.5
|
1.0
|
SG
|
C:CYS597
|
2.2
|
7.0
|
1.0
|
SG
|
C:CYS595
|
2.2
|
9.3
|
1.0
|
C
|
C:GLY596
|
2.8
|
9.2
|
1.0
|
CA
|
C:GLY596
|
2.8
|
9.0
|
1.0
|
ZN
|
C:ZN1731
|
2.8
|
12.4
|
1.0
|
CA
|
C:CYS597
|
2.9
|
7.5
|
1.0
|
CB
|
C:CYS597
|
3.0
|
7.0
|
1.0
|
C
|
C:CYS595
|
3.0
|
9.1
|
1.0
|
CB
|
C:CYS595
|
3.1
|
7.1
|
1.0
|
CA
|
C:CYS595
|
3.4
|
8.7
|
1.0
|
C
|
C:CYS597
|
3.7
|
7.2
|
1.0
|
N
|
C:CYS595
|
3.7
|
7.0
|
1.0
|
N
|
C:PHE598
|
3.7
|
6.1
|
1.0
|
S
|
C:SX1733
|
3.8
|
18.0
|
1.0
|
CD1
|
C:LEU527
|
3.8
|
8.1
|
1.0
|
O
|
C:SX1733
|
3.9
|
15.1
|
1.0
|
O
|
C:GLY596
|
4.0
|
8.7
|
1.0
|
O
|
C:CYS595
|
4.2
|
9.7
|
1.0
|
CD2
|
C:PHE229
|
4.4
|
9.0
|
1.0
|
O
|
C:CYS597
|
4.7
|
8.2
|
1.0
|
CD2
|
C:PHE598
|
4.7
|
8.8
|
1.0
|
CE2
|
C:PHE229
|
4.7
|
7.6
|
1.0
|
S1
|
C:SF41730
|
4.9
|
7.3
|
1.0
|
C
|
C:SER594
|
5.0
|
8.2
|
1.0
|
CA
|
C:PHE598
|
5.0
|
7.3
|
1.0
|
|
Nickel binding site 4 out
of 6 in 1oao
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Nickel Binding Sites List in 1oao
Nickel binding site 4 out
of 6 in the Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 4 of Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ni1731
b:17.3
occ:0.70
|
NI
|
D:NI1731
|
0.0
|
17.3
|
0.7
|
NI
|
D:NI1731
|
1.7
|
16.9
|
0.3
|
SG
|
D:CYS597
|
2.1
|
12.5
|
1.0
|
SG
|
D:CYS509
|
2.3
|
10.6
|
1.0
|
SG
|
D:CYS595
|
2.3
|
9.4
|
1.0
|
OXT
|
D:ACT1733
|
2.4
|
18.4
|
0.7
|
FE4
|
D:SF41730
|
2.7
|
9.8
|
1.0
|
S1
|
D:SF41730
|
3.0
|
9.0
|
1.0
|
NI
|
D:NI1732
|
3.0
|
10.0
|
1.0
|
C
|
D:ACT1733
|
3.4
|
19.2
|
0.7
|
CB
|
D:CYS509
|
3.4
|
7.4
|
1.0
|
CB
|
D:CYS597
|
3.5
|
10.3
|
1.0
|
CB
|
D:CYS595
|
3.7
|
9.1
|
1.0
|
CZ
|
D:PHE512
|
3.8
|
11.2
|
1.0
|
CH3
|
D:ACT1733
|
4.0
|
18.8
|
0.7
|
O
|
D:ACT1733
|
4.3
|
20.0
|
0.7
|
S3
|
D:SF41730
|
4.3
|
11.1
|
1.0
|
FE2
|
D:SF41730
|
4.4
|
10.2
|
1.0
|
CE1
|
D:PHE512
|
4.4
|
10.7
|
1.0
|
N
|
D:CYS597
|
4.4
|
9.9
|
1.0
|
CD2
|
D:LEU527
|
4.5
|
10.7
|
1.0
|
CB
|
D:CYS528
|
4.5
|
10.9
|
1.0
|
S2
|
D:SF41730
|
4.6
|
9.6
|
1.0
|
CA
|
D:CYS597
|
4.6
|
10.5
|
1.0
|
FE3
|
D:SF41730
|
4.6
|
10.4
|
1.0
|
CE2
|
D:PHE512
|
4.7
|
10.4
|
1.0
|
N
|
D:GLY596
|
4.8
|
9.9
|
1.0
|
CA
|
D:CYS509
|
4.8
|
7.9
|
1.0
|
CA
|
D:CYS595
|
5.0
|
9.1
|
1.0
|
|
Nickel binding site 5 out
of 6 in 1oao
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Nickel Binding Sites List in 1oao
Nickel binding site 5 out
of 6 in the Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 5 of Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ni1731
b:16.9
occ:0.30
|
NI
|
D:NI1731
|
0.0
|
16.9
|
0.3
|
NI
|
D:NI1731
|
1.7
|
17.3
|
0.7
|
CZ
|
D:PHE512
|
2.1
|
11.2
|
1.0
|
SG
|
D:CYS509
|
2.4
|
10.6
|
1.0
|
SG
|
D:CYS595
|
2.5
|
9.4
|
1.0
|
CE1
|
D:PHE512
|
2.9
|
10.7
|
1.0
|
NI
|
D:NI1732
|
2.9
|
10.0
|
1.0
|
CB
|
D:CYS509
|
2.9
|
7.4
|
1.0
|
CB
|
D:CYS595
|
3.0
|
9.1
|
1.0
|
SG
|
D:CYS597
|
3.1
|
12.5
|
1.0
|
CE2
|
D:PHE512
|
3.1
|
10.4
|
1.0
|
OXT
|
D:ACT1733
|
3.3
|
18.4
|
0.7
|
FE4
|
D:SF41730
|
3.8
|
9.8
|
1.0
|
CB
|
D:CYS597
|
3.8
|
10.3
|
1.0
|
CH3
|
D:ACT1733
|
3.9
|
18.8
|
0.7
|
C
|
D:ACT1733
|
3.9
|
19.2
|
0.7
|
N
|
D:GLY596
|
4.1
|
9.9
|
1.0
|
CD1
|
D:PHE512
|
4.2
|
10.5
|
1.0
|
CA
|
D:CYS509
|
4.2
|
7.9
|
1.0
|
N
|
D:CYS597
|
4.3
|
9.9
|
1.0
|
CA
|
D:CYS595
|
4.3
|
9.1
|
1.0
|
CD2
|
D:PHE512
|
4.3
|
11.7
|
1.0
|
S1
|
D:SF41730
|
4.6
|
9.0
|
1.0
|
C
|
D:CYS595
|
4.6
|
9.3
|
1.0
|
CA
|
D:CYS597
|
4.7
|
10.5
|
1.0
|
CG
|
D:PHE512
|
4.8
|
9.0
|
1.0
|
O
|
D:CYS509
|
4.8
|
7.0
|
1.0
|
CA
|
D:GLY596
|
5.0
|
9.8
|
1.0
|
|
Nickel binding site 6 out
of 6 in 1oao
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Nickel Binding Sites List in 1oao
Nickel binding site 6 out
of 6 in the Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase
Mono view
Stereo pair view
|
A full contact list of Nickel with other atoms in the Ni binding
site number 6 of Nizn[FE4S4] and Nini[FE4S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ni1732
b:10.0
occ:1.00
|
N
|
D:CYS597
|
2.0
|
9.9
|
1.0
|
N
|
D:GLY596
|
2.0
|
9.9
|
1.0
|
SG
|
D:CYS595
|
2.2
|
9.4
|
1.0
|
SG
|
D:CYS597
|
2.3
|
12.5
|
1.0
|
C
|
D:GLY596
|
2.8
|
10.2
|
1.0
|
CA
|
D:GLY596
|
2.9
|
9.8
|
1.0
|
NI
|
D:NI1731
|
2.9
|
16.9
|
0.3
|
CB
|
D:CYS595
|
2.9
|
9.1
|
1.0
|
CA
|
D:CYS597
|
3.0
|
10.5
|
1.0
|
C
|
D:CYS595
|
3.0
|
9.3
|
1.0
|
CB
|
D:CYS597
|
3.0
|
10.3
|
1.0
|
NI
|
D:NI1731
|
3.0
|
17.3
|
0.7
|
CA
|
D:CYS595
|
3.3
|
9.1
|
1.0
|
N
|
D:CYS595
|
3.6
|
9.4
|
1.0
|
N
|
D:PHE598
|
3.7
|
9.4
|
1.0
|
C
|
D:CYS597
|
3.7
|
10.0
|
1.0
|
CD2
|
D:LEU527
|
3.8
|
10.7
|
1.0
|
O
|
D:GLY596
|
4.0
|
10.2
|
1.0
|
CZ
|
D:PHE512
|
4.0
|
11.2
|
1.0
|
O
|
D:CYS595
|
4.1
|
8.8
|
1.0
|
CE2
|
D:PHE512
|
4.2
|
10.4
|
1.0
|
CD2
|
D:PHE598
|
4.4
|
10.3
|
1.0
|
CE2
|
D:PHE598
|
4.7
|
10.0
|
1.0
|
OXT
|
D:ACT1733
|
4.7
|
18.4
|
0.7
|
O
|
D:CYS597
|
4.7
|
10.6
|
1.0
|
S1
|
D:SF41730
|
4.8
|
9.0
|
1.0
|
C
|
D:SER594
|
4.9
|
9.2
|
1.0
|
CA
|
D:PHE598
|
4.9
|
9.7
|
1.0
|
|
Reference:
C.Darnault,
A.Volbeda,
E.J.Kim,
P.Legrand,
X.Vernede,
P.A.Lindahl,
J.C.Fontecilla-Camps.
Ni-Zn-[FE4-S4] and Ni-Ni-[FE4-S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase Nat.Struct.Biol. V. 10 271 2003.
ISSN: ISSN 1072-8368
PubMed: 12627225
DOI: 10.1038/NSB912
Page generated: Wed Oct 9 15:03:40 2024
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