Iron in PDB 7nys: Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A
Enzymatic activity of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A
All present enzymatic activity of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A:
2.3.1.169;
Protein crystallography data
The structure of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A, PDB code: 7nys
was solved by
J.Kreibich,
J.H.Jeoung,
H.Dobbek,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
48.56 /
2.00
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
70.276,
99.2,
238.584,
90,
90,
90
|
|
R / Rfree (%)
|
18.4 /
22.1
|
Other elements in 7nys:
The structure of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A
(pdb code 7nys). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A, PDB code: 7nys:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 7nys
Go back to
Iron Binding Sites List in 7nys
Iron binding site 1 out
of 8 in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe801
b:22.8
occ:1.00
|
FE1
|
A:SF4801
|
0.0
|
22.8
|
1.0
|
|
SG
|
A:CYS509
|
2.2
|
28.3
|
1.0
|
|
S3
|
A:SF4801
|
2.3
|
23.2
|
1.0
|
|
S2
|
A:SF4801
|
2.3
|
26.4
|
1.0
|
|
S4
|
A:SF4801
|
2.3
|
25.1
|
1.0
|
|
FE2
|
A:SF4801
|
2.7
|
21.5
|
1.0
|
|
FE4
|
A:SF4801
|
2.7
|
23.4
|
1.0
|
|
FE3
|
A:SF4801
|
2.7
|
22.6
|
1.0
|
|
HB3
|
A:CYS509
|
2.8
|
26.9
|
1.0
|
|
CB
|
A:CYS509
|
3.1
|
22.4
|
1.0
|
|
HB3
|
A:LEU511
|
3.4
|
30.1
|
1.0
|
|
HB2
|
A:CYS509
|
3.6
|
26.9
|
1.0
|
|
HG13
|
A:ILE534
|
3.7
|
31.0
|
1.0
|
|
H
|
A:LEU511
|
3.8
|
28.9
|
1.0
|
|
S1
|
A:SF4801
|
3.9
|
25.4
|
1.0
|
|
HB2
|
A:CYS521
|
4.0
|
28.8
|
1.0
|
|
CB
|
A:LEU511
|
4.2
|
25.1
|
1.0
|
|
HB2
|
A:LEU511
|
4.3
|
30.1
|
1.0
|
|
H
|
A:CYS512
|
4.3
|
23.3
|
1.0
|
|
HD23
|
A:LEU511
|
4.3
|
34.4
|
1.0
|
|
CA
|
A:CYS509
|
4.4
|
26.4
|
1.0
|
|
HB
|
A:ILE534
|
4.4
|
23.7
|
1.0
|
|
C
|
A:CYS509
|
4.4
|
28.4
|
1.0
|
|
CG1
|
A:ILE534
|
4.4
|
25.9
|
1.0
|
|
HG12
|
A:ILE534
|
4.4
|
31.0
|
1.0
|
|
N
|
A:LEU511
|
4.5
|
24.1
|
1.0
|
|
O
|
A:CYS509
|
4.5
|
23.9
|
1.0
|
|
HG21
|
A:ILE534
|
4.5
|
23.1
|
1.0
|
|
SG
|
A:CYS521
|
4.7
|
25.1
|
1.0
|
|
CB
|
A:CYS521
|
4.7
|
24.0
|
1.0
|
|
HD21
|
A:ASN551
|
4.7
|
34.2
|
1.0
|
|
HD22
|
A:LEU511
|
4.7
|
34.4
|
1.0
|
|
HB3
|
A:CYS521
|
4.8
|
28.8
|
1.0
|
|
SG
|
A:CYS512
|
4.8
|
26.2
|
1.0
|
|
HA
|
A:CYS509
|
4.8
|
31.7
|
1.0
|
|
CB
|
A:ILE534
|
4.9
|
19.7
|
1.0
|
|
CD2
|
A:LEU511
|
4.9
|
28.7
|
1.0
|
|
HB2
|
A:CYS512
|
4.9
|
28.6
|
1.0
|
|
CA
|
A:LEU511
|
4.9
|
23.3
|
1.0
|
|
SG
|
A:CYS531
|
5.0
|
24.6
|
1.0
|
|
N
|
A:CYS512
|
5.0
|
19.4
|
1.0
|
|
N
|
A:LEU510
|
5.0
|
26.5
|
1.0
|
|
Iron binding site 2 out
of 8 in 7nys
Go back to
Iron Binding Sites List in 7nys
Iron binding site 2 out
of 8 in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe801
b:21.5
occ:1.00
|
FE2
|
A:SF4801
|
0.0
|
21.5
|
1.0
|
|
SG
|
A:CYS521
|
2.2
|
25.1
|
1.0
|
|
S1
|
A:SF4801
|
2.3
|
25.4
|
1.0
|
|
S4
|
A:SF4801
|
2.3
|
25.1
|
1.0
|
|
S3
|
A:SF4801
|
2.3
|
23.2
|
1.0
|
|
FE3
|
A:SF4801
|
2.7
|
22.6
|
1.0
|
|
FE1
|
A:SF4801
|
2.7
|
22.8
|
1.0
|
|
FE4
|
A:SF4801
|
2.7
|
23.4
|
1.0
|
|
HB2
|
A:CYS521
|
2.9
|
28.8
|
1.0
|
|
CB
|
A:CYS521
|
3.1
|
24.0
|
1.0
|
|
HE2
|
A:HIS519
|
3.3
|
37.2
|
1.0
|
|
HB3
|
A:CYS521
|
3.4
|
28.8
|
1.0
|
|
HG
|
A:LEU530
|
3.5
|
24.7
|
1.0
|
|
HB3
|
A:CYS509
|
3.6
|
26.9
|
1.0
|
|
S2
|
A:SF4801
|
3.9
|
26.4
|
1.0
|
|
H
|
A:LEU530
|
4.0
|
26.1
|
1.0
|
|
NE2
|
A:HIS519
|
4.1
|
31.0
|
1.0
|
|
H
|
A:CYS531
|
4.1
|
25.4
|
1.0
|
|
HA3
|
A:GLY529
|
4.2
|
25.6
|
1.0
|
|
CG
|
A:LEU530
|
4.4
|
20.6
|
1.0
|
|
CB
|
A:CYS509
|
4.5
|
22.4
|
1.0
|
|
SG
|
A:CYS509
|
4.5
|
28.3
|
1.0
|
|
CA
|
A:CYS521
|
4.6
|
20.6
|
1.0
|
|
N
|
A:LEU530
|
4.6
|
21.8
|
1.0
|
|
HB3
|
A:CYS531
|
4.6
|
27.2
|
1.0
|
|
HD21
|
A:LEU530
|
4.6
|
30.7
|
1.0
|
|
HD11
|
A:LEU530
|
4.6
|
31.0
|
1.0
|
|
HA2
|
A:GLY529
|
4.7
|
25.6
|
1.0
|
|
HD23
|
A:LEU530
|
4.7
|
30.7
|
1.0
|
|
HD2
|
A:HIS519
|
4.7
|
25.9
|
1.0
|
|
HB2
|
A:CYS512
|
4.7
|
28.6
|
1.0
|
|
H
|
A:CYS521
|
4.8
|
29.1
|
1.0
|
|
CA
|
A:GLY529
|
4.8
|
21.3
|
1.0
|
|
O
|
A:CYS509
|
4.8
|
23.9
|
1.0
|
|
CD2
|
A:LEU530
|
4.8
|
25.6
|
1.0
|
|
CD2
|
A:HIS519
|
4.9
|
21.6
|
1.0
|
|
HA
|
A:CYS521
|
4.9
|
24.7
|
1.0
|
|
SG
|
A:CYS531
|
4.9
|
24.6
|
1.0
|
|
HB2
|
A:CYS509
|
4.9
|
26.9
|
1.0
|
|
O
|
A:HOH1285
|
4.9
|
27.9
|
1.0
|
|
SG
|
A:CYS512
|
4.9
|
26.2
|
1.0
|
|
N
|
A:CYS531
|
5.0
|
21.1
|
1.0
|
|
CD1
|
A:LEU530
|
5.0
|
25.8
|
1.0
|
|
Iron binding site 3 out
of 8 in 7nys
Go back to
Iron Binding Sites List in 7nys
Iron binding site 3 out
of 8 in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe801
b:22.6
occ:1.00
|
FE3
|
A:SF4801
|
0.0
|
22.6
|
1.0
|
|
S1
|
A:SF4801
|
2.3
|
25.4
|
1.0
|
|
S4
|
A:SF4801
|
2.3
|
25.1
|
1.0
|
|
S2
|
A:SF4801
|
2.3
|
26.4
|
1.0
|
|
SG
|
A:CYS531
|
2.4
|
24.6
|
1.0
|
|
FE2
|
A:SF4801
|
2.7
|
21.5
|
1.0
|
|
FE4
|
A:SF4801
|
2.7
|
23.4
|
1.0
|
|
FE1
|
A:SF4801
|
2.7
|
22.8
|
1.0
|
|
HB3
|
A:CYS531
|
2.7
|
27.2
|
1.0
|
|
CB
|
A:CYS531
|
3.1
|
22.7
|
1.0
|
|
H
|
A:CYS531
|
3.2
|
25.4
|
1.0
|
|
HD11
|
A:ILE149
|
3.7
|
44.2
|
1.0
|
|
HG12
|
A:ILE534
|
3.7
|
31.0
|
1.0
|
|
HB2
|
A:CYS531
|
3.8
|
27.2
|
1.0
|
|
S3
|
A:SF4801
|
3.9
|
23.2
|
1.0
|
|
HB
|
A:ILE534
|
3.9
|
23.7
|
1.0
|
|
N
|
A:CYS531
|
3.9
|
21.1
|
1.0
|
|
HG13
|
A:ILE534
|
4.0
|
31.0
|
1.0
|
|
HA3
|
A:GLY529
|
4.1
|
25.6
|
1.0
|
|
CA
|
A:CYS531
|
4.1
|
22.2
|
1.0
|
|
CG1
|
A:ILE534
|
4.2
|
25.9
|
1.0
|
|
HG
|
A:LEU530
|
4.5
|
24.7
|
1.0
|
|
CD1
|
A:ILE149
|
4.6
|
36.8
|
1.0
|
|
CB
|
A:ILE534
|
4.6
|
19.7
|
1.0
|
|
H
|
A:LEU530
|
4.7
|
26.1
|
1.0
|
|
HD13
|
A:ILE149
|
4.7
|
44.2
|
1.0
|
|
SG
|
A:CYS509
|
4.7
|
28.3
|
1.0
|
|
SG
|
A:CYS521
|
4.7
|
25.1
|
1.0
|
|
H
|
A:ALA533
|
4.7
|
34.5
|
1.0
|
|
H
|
A:ILE534
|
4.8
|
28.2
|
1.0
|
|
N
|
A:LEU530
|
4.8
|
21.8
|
1.0
|
|
HA
|
A:CYS531
|
4.8
|
26.7
|
1.0
|
|
C
|
A:GLY529
|
4.8
|
24.4
|
1.0
|
|
H
|
A:GLY532
|
4.8
|
30.0
|
1.0
|
|
SG
|
A:CYS512
|
4.9
|
26.2
|
1.0
|
|
CA
|
A:GLY529
|
4.9
|
21.3
|
1.0
|
|
HB3
|
A:CYS509
|
5.0
|
26.9
|
1.0
|
|
Iron binding site 4 out
of 8 in 7nys
Go back to
Iron Binding Sites List in 7nys
Iron binding site 4 out
of 8 in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe801
b:23.4
occ:1.00
|
FE4
|
A:SF4801
|
0.0
|
23.4
|
1.0
|
|
S3
|
A:SF4801
|
2.3
|
23.2
|
1.0
|
|
S1
|
A:SF4801
|
2.3
|
25.4
|
1.0
|
|
S2
|
A:SF4801
|
2.3
|
26.4
|
1.0
|
|
SG
|
A:CYS512
|
2.4
|
26.2
|
1.0
|
|
FE1
|
A:SF4801
|
2.7
|
22.8
|
1.0
|
|
FE2
|
A:SF4801
|
2.7
|
21.5
|
1.0
|
|
FE3
|
A:SF4801
|
2.7
|
22.6
|
1.0
|
|
HB2
|
A:CYS512
|
3.1
|
28.6
|
1.0
|
|
HD11
|
A:ILE149
|
3.3
|
44.2
|
1.0
|
|
CB
|
A:CYS512
|
3.4
|
23.8
|
1.0
|
|
H
|
A:CYS512
|
3.7
|
23.3
|
1.0
|
|
S4
|
A:SF4801
|
3.9
|
25.1
|
1.0
|
|
NI
|
A:UWE802
|
3.9
|
23.6
|
1.0
|
|
HB3
|
A:LEU511
|
3.9
|
30.1
|
1.0
|
|
HB3
|
A:CYS531
|
4.0
|
27.2
|
1.0
|
|
HB3
|
A:CYS512
|
4.0
|
28.6
|
1.0
|
|
HD12
|
A:ILE149
|
4.0
|
44.2
|
1.0
|
|
CD1
|
A:ILE149
|
4.1
|
36.8
|
1.0
|
|
N
|
A:CYS512
|
4.2
|
19.4
|
1.0
|
|
SG
|
A:CYS600
|
4.2
|
24.0
|
1.0
|
|
SG
|
A:CYS598
|
4.3
|
24.2
|
1.0
|
|
HD13
|
A:ILE149
|
4.3
|
44.2
|
1.0
|
|
HD23
|
A:LEU511
|
4.4
|
34.4
|
1.0
|
|
CA
|
A:CYS512
|
4.4
|
29.0
|
1.0
|
|
HE2
|
A:HIS519
|
4.5
|
37.2
|
1.0
|
|
HD2
|
A:HIS519
|
4.6
|
25.9
|
1.0
|
|
SG
|
A:CYS521
|
4.7
|
25.1
|
1.0
|
|
HA
|
A:CYS512
|
4.7
|
34.8
|
1.0
|
|
SG
|
A:CYS509
|
4.8
|
28.3
|
1.0
|
|
CB
|
A:CYS531
|
4.8
|
22.7
|
1.0
|
|
HG21
|
A:VAL152
|
4.8
|
34.1
|
1.0
|
|
SG
|
A:CYS531
|
4.8
|
24.6
|
1.0
|
|
CB
|
A:LEU511
|
4.9
|
25.1
|
1.0
|
|
H
|
A:LEU511
|
4.9
|
28.9
|
1.0
|
|
O
|
A:HOH1420
|
4.9
|
25.8
|
1.0
|
|
HD11
|
A:LEU530
|
5.0
|
31.0
|
1.0
|
|
HB2
|
A:CYS521
|
5.0
|
28.8
|
1.0
|
|
Iron binding site 5 out
of 8 in 7nys
Go back to
Iron Binding Sites List in 7nys
Iron binding site 5 out
of 8 in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe801
b:18.8
occ:1.00
|
FE1
|
B:SF4801
|
0.0
|
18.8
|
1.0
|
|
S2
|
B:SF4801
|
2.3
|
17.0
|
1.0
|
|
S3
|
B:SF4801
|
2.3
|
17.9
|
1.0
|
|
S4
|
B:SF4801
|
2.3
|
18.4
|
1.0
|
|
SG
|
B:CYS509
|
2.3
|
20.2
|
1.0
|
|
FE2
|
B:SF4801
|
2.7
|
20.3
|
1.0
|
|
FE4
|
B:SF4801
|
2.7
|
21.2
|
1.0
|
|
FE3
|
B:SF4801
|
2.7
|
19.3
|
1.0
|
|
HB3
|
B:CYS509
|
2.8
|
23.4
|
1.0
|
|
CB
|
B:CYS509
|
3.1
|
19.5
|
1.0
|
|
HB3
|
B:LEU511
|
3.4
|
19.2
|
1.0
|
|
HG13
|
B:ILE534
|
3.6
|
28.0
|
1.0
|
|
HB2
|
B:CYS509
|
3.7
|
23.4
|
1.0
|
|
H
|
B:LEU511
|
3.7
|
19.6
|
1.0
|
|
S1
|
B:SF4801
|
3.9
|
19.6
|
1.0
|
|
HB2
|
B:CYS521
|
4.0
|
29.9
|
1.0
|
|
HB2
|
B:LEU511
|
4.2
|
19.2
|
1.0
|
|
CB
|
B:LEU511
|
4.2
|
16.0
|
1.0
|
|
HD23
|
B:LEU511
|
4.3
|
33.2
|
1.0
|
|
H
|
B:CYS512
|
4.3
|
21.8
|
1.0
|
|
CA
|
B:CYS509
|
4.3
|
18.7
|
1.0
|
|
C
|
B:CYS509
|
4.4
|
23.2
|
1.0
|
|
N
|
B:LEU511
|
4.5
|
16.4
|
1.0
|
|
HB
|
B:ILE534
|
4.5
|
27.8
|
1.0
|
|
CG1
|
B:ILE534
|
4.5
|
23.4
|
1.0
|
|
O
|
B:CYS509
|
4.5
|
18.6
|
1.0
|
|
HG21
|
B:ILE534
|
4.6
|
26.6
|
1.0
|
|
SG
|
B:CYS521
|
4.6
|
18.9
|
1.0
|
|
CB
|
B:CYS521
|
4.7
|
24.9
|
1.0
|
|
SG
|
B:CYS512
|
4.8
|
19.9
|
1.0
|
|
HB3
|
B:CYS521
|
4.8
|
29.9
|
1.0
|
|
HA
|
B:CYS509
|
4.8
|
22.4
|
1.0
|
|
HG12
|
B:ILE534
|
4.8
|
28.0
|
1.0
|
|
HD21
|
B:ASN551
|
4.8
|
28.5
|
1.0
|
|
HB2
|
B:CYS512
|
4.9
|
19.0
|
1.0
|
|
CA
|
B:LEU511
|
4.9
|
21.9
|
1.0
|
|
CB
|
B:ILE534
|
4.9
|
23.1
|
1.0
|
|
N
|
B:CYS512
|
4.9
|
18.2
|
1.0
|
|
SG
|
B:CYS531
|
5.0
|
19.0
|
1.0
|
|
N
|
B:LEU510
|
5.0
|
21.8
|
1.0
|
|
Iron binding site 6 out
of 8 in 7nys
Go back to
Iron Binding Sites List in 7nys
Iron binding site 6 out
of 8 in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe801
b:20.3
occ:1.00
|
FE2
|
B:SF4801
|
0.0
|
20.3
|
1.0
|
|
SG
|
B:CYS521
|
2.2
|
18.9
|
1.0
|
|
S3
|
B:SF4801
|
2.3
|
17.9
|
1.0
|
|
S1
|
B:SF4801
|
2.3
|
19.6
|
1.0
|
|
S4
|
B:SF4801
|
2.3
|
18.4
|
1.0
|
|
FE1
|
B:SF4801
|
2.7
|
18.8
|
1.0
|
|
FE4
|
B:SF4801
|
2.7
|
21.2
|
1.0
|
|
FE3
|
B:SF4801
|
2.7
|
19.3
|
1.0
|
|
HB2
|
B:CYS521
|
2.9
|
29.9
|
1.0
|
|
CB
|
B:CYS521
|
3.1
|
24.9
|
1.0
|
|
HE2
|
B:HIS519
|
3.2
|
27.2
|
1.0
|
|
HB3
|
B:CYS521
|
3.4
|
29.9
|
1.0
|
|
HG
|
B:LEU530
|
3.5
|
24.3
|
1.0
|
|
HB3
|
B:CYS509
|
3.6
|
23.4
|
1.0
|
|
S2
|
B:SF4801
|
3.9
|
17.0
|
1.0
|
|
H
|
B:LEU530
|
4.0
|
19.9
|
1.0
|
|
NE2
|
B:HIS519
|
4.0
|
22.7
|
1.0
|
|
H
|
B:CYS531
|
4.2
|
25.7
|
1.0
|
|
HA3
|
B:GLY529
|
4.2
|
26.1
|
1.0
|
|
CG
|
B:LEU530
|
4.4
|
20.2
|
1.0
|
|
HD21
|
B:LEU530
|
4.5
|
23.9
|
1.0
|
|
CB
|
B:CYS509
|
4.5
|
19.5
|
1.0
|
|
CA
|
B:CYS521
|
4.6
|
18.6
|
1.0
|
|
N
|
B:LEU530
|
4.6
|
16.6
|
1.0
|
|
HA2
|
B:GLY529
|
4.7
|
26.1
|
1.0
|
|
SG
|
B:CYS509
|
4.7
|
20.2
|
1.0
|
|
HB3
|
B:CYS531
|
4.7
|
24.6
|
1.0
|
|
O
|
B:HOH1255
|
4.7
|
21.8
|
1.0
|
|
HD2
|
B:HIS519
|
4.7
|
19.6
|
1.0
|
|
H
|
B:CYS521
|
4.7
|
21.5
|
1.0
|
|
HD23
|
B:LEU530
|
4.7
|
23.9
|
1.0
|
|
HD11
|
B:LEU530
|
4.7
|
26.2
|
1.0
|
|
HB2
|
B:CYS512
|
4.8
|
19.0
|
1.0
|
|
CD2
|
B:LEU530
|
4.8
|
19.9
|
1.0
|
|
CD2
|
B:HIS519
|
4.8
|
16.3
|
1.0
|
|
CA
|
B:GLY529
|
4.8
|
21.8
|
1.0
|
|
HA
|
B:CYS521
|
4.9
|
22.3
|
1.0
|
|
SG
|
B:CYS531
|
4.9
|
19.0
|
1.0
|
|
O
|
B:CYS509
|
4.9
|
18.6
|
1.0
|
|
N
|
B:CYS531
|
4.9
|
21.4
|
1.0
|
|
HB2
|
B:CYS509
|
5.0
|
23.4
|
1.0
|
|
N
|
B:CYS521
|
5.0
|
17.9
|
1.0
|
|
SG
|
B:CYS512
|
5.0
|
19.9
|
1.0
|
|
Iron binding site 7 out
of 8 in 7nys
Go back to
Iron Binding Sites List in 7nys
Iron binding site 7 out
of 8 in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe801
b:19.3
occ:1.00
|
FE3
|
B:SF4801
|
0.0
|
19.3
|
1.0
|
|
S4
|
B:SF4801
|
2.3
|
18.4
|
1.0
|
|
S2
|
B:SF4801
|
2.3
|
17.0
|
1.0
|
|
S1
|
B:SF4801
|
2.3
|
19.6
|
1.0
|
|
SG
|
B:CYS531
|
2.4
|
19.0
|
1.0
|
|
FE1
|
B:SF4801
|
2.7
|
18.8
|
1.0
|
|
FE2
|
B:SF4801
|
2.7
|
20.3
|
1.0
|
|
FE4
|
B:SF4801
|
2.7
|
21.2
|
1.0
|
|
HB3
|
B:CYS531
|
2.7
|
24.6
|
1.0
|
|
H
|
B:CYS531
|
3.1
|
25.7
|
1.0
|
|
CB
|
B:CYS531
|
3.1
|
20.5
|
1.0
|
|
HD11
|
B:ILE149
|
3.6
|
34.2
|
1.0
|
|
HG13
|
B:ILE534
|
3.7
|
28.0
|
1.0
|
|
HB2
|
B:CYS531
|
3.8
|
24.6
|
1.0
|
|
N
|
B:CYS531
|
3.9
|
21.4
|
1.0
|
|
S3
|
B:SF4801
|
3.9
|
17.9
|
1.0
|
|
HG12
|
B:ILE534
|
3.9
|
28.0
|
1.0
|
|
HB
|
B:ILE534
|
4.0
|
27.8
|
1.0
|
|
HA3
|
B:GLY529
|
4.0
|
26.1
|
1.0
|
|
CA
|
B:CYS531
|
4.1
|
18.0
|
1.0
|
|
CG1
|
B:ILE534
|
4.2
|
23.4
|
1.0
|
|
HD13
|
B:ILE149
|
4.3
|
34.2
|
1.0
|
|
CD1
|
B:ILE149
|
4.4
|
28.5
|
1.0
|
|
O
|
B:HOH1678
|
4.4
|
39.5
|
1.0
|
|
HG
|
B:LEU530
|
4.5
|
24.3
|
1.0
|
|
CB
|
B:ILE534
|
4.6
|
23.1
|
1.0
|
|
H
|
B:LEU530
|
4.7
|
19.9
|
1.0
|
|
HD12
|
B:ILE149
|
4.7
|
34.2
|
1.0
|
|
SG
|
B:CYS521
|
4.8
|
18.9
|
1.0
|
|
HA
|
B:CYS531
|
4.8
|
21.6
|
1.0
|
|
N
|
B:LEU530
|
4.8
|
16.6
|
1.0
|
|
H
|
B:ALA533
|
4.8
|
29.3
|
1.0
|
|
H
|
B:ILE534
|
4.8
|
26.9
|
1.0
|
|
C
|
B:GLY529
|
4.8
|
17.9
|
1.0
|
|
CA
|
B:GLY529
|
4.8
|
21.8
|
1.0
|
|
SG
|
B:CYS509
|
4.8
|
20.2
|
1.0
|
|
SG
|
B:CYS512
|
4.9
|
19.9
|
1.0
|
|
H
|
B:GLY532
|
5.0
|
25.4
|
1.0
|
|
HB3
|
B:CYS509
|
5.0
|
23.4
|
1.0
|
|
Iron binding site 8 out
of 8 in 7nys
Go back to
Iron Binding Sites List in 7nys
Iron binding site 8 out
of 8 in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe801
b:21.2
occ:1.00
|
FE4
|
B:SF4801
|
0.0
|
21.2
|
1.0
|
|
S1
|
B:SF4801
|
2.3
|
19.6
|
1.0
|
|
S3
|
B:SF4801
|
2.3
|
17.9
|
1.0
|
|
S2
|
B:SF4801
|
2.3
|
17.0
|
1.0
|
|
SG
|
B:CYS512
|
2.4
|
19.9
|
1.0
|
|
FE2
|
B:SF4801
|
2.7
|
20.3
|
1.0
|
|
FE1
|
B:SF4801
|
2.7
|
18.8
|
1.0
|
|
FE3
|
B:SF4801
|
2.7
|
19.3
|
1.0
|
|
HB2
|
B:CYS512
|
3.1
|
19.0
|
1.0
|
|
CB
|
B:CYS512
|
3.4
|
15.8
|
1.0
|
|
H
|
B:CYS512
|
3.7
|
21.8
|
1.0
|
|
HD11
|
B:ILE149
|
3.8
|
34.2
|
1.0
|
|
NI
|
B:UWE802
|
3.8
|
20.2
|
1.0
|
|
S4
|
B:SF4801
|
3.9
|
18.4
|
1.0
|
|
HB3
|
B:LEU511
|
3.9
|
19.2
|
1.0
|
|
HD12
|
B:ILE149
|
4.0
|
34.2
|
1.0
|
|
HB3
|
B:CYS531
|
4.1
|
24.6
|
1.0
|
|
HB3
|
B:CYS512
|
4.1
|
19.0
|
1.0
|
|
N
|
B:CYS512
|
4.2
|
18.2
|
1.0
|
|
CD1
|
B:ILE149
|
4.2
|
28.5
|
1.0
|
|
SG
|
B:CYS598
|
4.3
|
17.8
|
1.0
|
|
HD13
|
B:ILE149
|
4.4
|
34.2
|
1.0
|
|
HE2
|
B:HIS519
|
4.4
|
27.2
|
1.0
|
|
CA
|
B:CYS512
|
4.4
|
17.3
|
1.0
|
|
SG
|
B:CYS600
|
4.4
|
20.4
|
1.0
|
|
HD2
|
B:HIS519
|
4.7
|
19.6
|
1.0
|
|
HA
|
B:CYS512
|
4.7
|
20.8
|
1.0
|
|
SG
|
B:CYS521
|
4.7
|
18.9
|
1.0
|
|
HD23
|
B:LEU511
|
4.7
|
33.2
|
1.0
|
|
HG21
|
B:VAL152
|
4.7
|
27.7
|
1.0
|
|
SG
|
B:CYS509
|
4.9
|
20.2
|
1.0
|
|
CB
|
B:CYS531
|
4.9
|
20.5
|
1.0
|
|
CB
|
B:LEU511
|
4.9
|
16.0
|
1.0
|
|
H
|
B:LEU511
|
4.9
|
19.6
|
1.0
|
|
SG
|
B:CYS531
|
4.9
|
19.0
|
1.0
|
|
O
|
B:HOH1345
|
4.9
|
16.7
|
1.0
|
|
HG
|
B:LEU530
|
5.0
|
24.3
|
1.0
|
|
Reference:
J.Kreibich,
J.H.Jeoung,
H.Dobbek.
Ligand Binding at the Ni,Ni-[4FE-4S] Cluster of Acetyl-Coa Synthase To Be Published.
Page generated: Thu Aug 7 00:19:40 2025
|
