Iron in PDB 8a1x: Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa
Enzymatic activity of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa
All present enzymatic activity of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa:
7.2.1.1;
Iron Binding Sites:
The binding sites of Iron atom in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa
(pdb code 8a1x). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa, PDB code: 8a1x:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 8a1x
Go back to
Iron Binding Sites List in 8a1x
Iron binding site 1 out
of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe1001
b:72.4
occ:1.00
|
FE1
|
E:FES1001
|
0.0
|
72.4
|
1.0
|
|
S1
|
E:FES1001
|
2.2
|
88.8
|
1.0
|
|
S2
|
E:FES1001
|
2.2
|
73.2
|
1.0
|
|
SG
|
E:CYS26
|
2.3
|
71.6
|
1.0
|
|
SG
|
D:CYS112
|
2.3
|
59.7
|
1.0
|
|
FE2
|
E:FES1001
|
2.7
|
88.2
|
1.0
|
|
HB2
|
E:CYS26
|
2.9
|
56.8
|
1.0
|
|
H
|
D:CYS112
|
3.1
|
57.5
|
1.0
|
|
CB
|
E:CYS26
|
3.2
|
57.7
|
1.0
|
|
H
|
D:GLY27
|
3.5
|
51.4
|
1.0
|
|
HB2
|
E:CYS120
|
3.5
|
66.2
|
1.0
|
|
HB2
|
D:CYS112
|
3.5
|
57.1
|
1.0
|
|
CB
|
D:CYS112
|
3.6
|
57.0
|
1.0
|
|
H
|
E:CYS26
|
3.6
|
56.1
|
1.0
|
|
HB3
|
E:CYS26
|
3.7
|
56.4
|
1.0
|
|
N
|
D:CYS112
|
3.8
|
51.5
|
1.0
|
|
SG
|
D:CYS29
|
4.0
|
73.5
|
1.0
|
|
H
|
D:CYS29
|
4.2
|
49.7
|
1.0
|
|
HA
|
D:ASN111
|
4.2
|
59.4
|
1.0
|
|
CB
|
E:CYS120
|
4.3
|
66.0
|
1.0
|
|
N
|
D:GLY27
|
4.3
|
50.6
|
1.0
|
|
N
|
E:CYS26
|
4.3
|
47.9
|
1.0
|
|
HB3
|
D:CYS112
|
4.3
|
57.4
|
1.0
|
|
CA
|
D:CYS112
|
4.3
|
54.0
|
1.0
|
|
HB2
|
D:CYS29
|
4.3
|
49.3
|
1.0
|
|
HA
|
D:LEU26
|
4.3
|
50.4
|
1.0
|
|
CA
|
E:CYS26
|
4.4
|
51.2
|
1.0
|
|
HB3
|
E:CYS120
|
4.4
|
66.4
|
1.0
|
|
H
|
D:VAL28
|
4.4
|
44.2
|
1.0
|
|
O
|
D:THR110
|
4.5
|
67.6
|
1.0
|
|
HA2
|
D:GLY27
|
4.5
|
50.7
|
1.0
|
|
H
|
E:CYS120
|
4.7
|
66.4
|
1.0
|
|
HA
|
D:CYS112
|
4.8
|
57.4
|
1.0
|
|
CB
|
D:CYS29
|
4.8
|
45.4
|
1.0
|
|
SG
|
E:CYS120
|
4.8
|
76.3
|
1.0
|
|
H
|
E:THR27
|
4.8
|
53.3
|
1.0
|
|
C
|
D:ASN111
|
4.9
|
59.2
|
1.0
|
|
CA
|
D:GLY27
|
4.9
|
48.8
|
1.0
|
|
HA
|
E:CYS26
|
4.9
|
55.8
|
1.0
|
|
CA
|
D:ASN111
|
5.0
|
58.6
|
1.0
|
|
N
|
D:VAL28
|
5.0
|
41.2
|
1.0
|
|
Iron binding site 2 out
of 4 in 8a1x
Go back to
Iron Binding Sites List in 8a1x
Iron binding site 2 out
of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe1001
b:88.2
occ:1.00
|
FE2
|
E:FES1001
|
0.0
|
88.2
|
1.0
|
|
HB2
|
E:CYS120
|
2.0
|
66.2
|
1.0
|
|
S2
|
E:FES1001
|
2.2
|
73.2
|
1.0
|
|
S1
|
E:FES1001
|
2.2
|
88.8
|
1.0
|
|
CB
|
E:CYS120
|
2.3
|
66.0
|
1.0
|
|
SG
|
D:CYS29
|
2.3
|
73.5
|
1.0
|
|
HB3
|
E:CYS120
|
2.3
|
66.4
|
1.0
|
|
SG
|
E:CYS120
|
2.3
|
76.3
|
1.0
|
|
HB2
|
D:CYS29
|
2.6
|
49.3
|
1.0
|
|
FE1
|
E:FES1001
|
2.7
|
72.4
|
1.0
|
|
CB
|
D:CYS29
|
2.9
|
45.4
|
1.0
|
|
H
|
E:GLY24
|
3.2
|
59.4
|
1.0
|
|
HB3
|
D:CYS29
|
3.3
|
48.6
|
1.0
|
|
CA
|
E:CYS120
|
3.8
|
63.3
|
1.0
|
|
H
|
D:CYS29
|
3.8
|
49.7
|
1.0
|
|
H
|
E:CYS120
|
4.0
|
66.4
|
1.0
|
|
N
|
E:GLY24
|
4.0
|
55.0
|
1.0
|
|
HA2
|
E:GLY24
|
4.1
|
58.1
|
1.0
|
|
HA
|
E:CYS120
|
4.1
|
65.9
|
1.0
|
|
H
|
E:MET25
|
4.2
|
56.9
|
1.0
|
|
SG
|
E:CYS26
|
4.2
|
71.6
|
1.0
|
|
H
|
E:CYS26
|
4.2
|
56.1
|
1.0
|
|
HA
|
E:LEU23
|
4.3
|
67.8
|
1.0
|
|
CA
|
D:CYS29
|
4.3
|
44.7
|
1.0
|
|
N
|
E:CYS120
|
4.4
|
65.7
|
1.0
|
|
HA
|
D:ASN111
|
4.4
|
59.4
|
1.0
|
|
N
|
D:CYS29
|
4.4
|
51.1
|
1.0
|
|
CA
|
E:GLY24
|
4.5
|
53.4
|
1.0
|
|
SG
|
D:CYS112
|
4.7
|
59.7
|
1.0
|
|
H
|
D:CYS112
|
4.7
|
57.5
|
1.0
|
|
C
|
E:CYS120
|
4.7
|
65.0
|
1.0
|
|
N
|
E:MET25
|
4.7
|
56.2
|
1.0
|
|
HA
|
D:CYS29
|
4.8
|
49.7
|
1.0
|
|
HB2
|
E:CYS26
|
4.8
|
56.8
|
1.0
|
|
HD12
|
D:LEU107
|
4.9
|
61.3
|
1.0
|
|
O
|
D:THR110
|
4.9
|
67.6
|
1.0
|
|
C
|
E:GLY24
|
5.0
|
57.1
|
1.0
|
|
Iron binding site 3 out
of 4 in 8a1x
Go back to
Iron Binding Sites List in 8a1x
Iron binding site 3 out
of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe1502
b:103.0
occ:1.00
|
FE1
|
F:FES1502
|
0.0
|
103.0
|
1.0
|
|
S1
|
F:FES1502
|
2.2
|
95.1
|
1.0
|
|
S2
|
F:FES1502
|
2.2
|
94.1
|
1.0
|
|
SG
|
F:CYS76
|
2.3
|
72.6
|
1.0
|
|
SG
|
F:CYS70
|
2.3
|
74.3
|
1.0
|
|
H
|
F:CYS76
|
2.6
|
68.4
|
1.0
|
|
FE2
|
F:FES1502
|
2.7
|
98.0
|
1.0
|
|
H
|
F:GLY77
|
2.8
|
70.3
|
1.0
|
|
H
|
F:CYS70
|
2.9
|
66.8
|
1.0
|
|
H
|
F:SER75
|
3.2
|
64.9
|
1.0
|
|
HB3
|
F:CYS70
|
3.3
|
67.2
|
1.0
|
|
CB
|
F:CYS70
|
3.4
|
69.7
|
1.0
|
|
N
|
F:CYS76
|
3.4
|
69.3
|
1.0
|
|
H
|
F:GLY71
|
3.5
|
61.8
|
1.0
|
|
N
|
F:GLY77
|
3.6
|
71.1
|
1.0
|
|
CB
|
F:CYS76
|
3.6
|
68.5
|
1.0
|
|
N
|
F:CYS70
|
3.6
|
67.0
|
1.0
|
|
H
|
F:ALA69
|
3.7
|
62.8
|
1.0
|
|
HB3
|
F:CYS76
|
3.8
|
68.7
|
1.0
|
|
N
|
F:SER75
|
3.9
|
63.4
|
1.0
|
|
O
|
F:GLY71
|
3.9
|
66.4
|
1.0
|
|
CA
|
F:CYS70
|
3.9
|
66.6
|
1.0
|
|
HA2
|
F:GLY74
|
3.9
|
58.7
|
1.0
|
|
CA
|
F:CYS76
|
3.9
|
67.0
|
1.0
|
|
N
|
F:GLY71
|
3.9
|
60.3
|
1.0
|
|
H
|
F:GLN78
|
3.9
|
68.3
|
1.0
|
|
H
|
F:GLY74
|
4.0
|
58.0
|
1.0
|
|
C
|
F:CYS70
|
4.2
|
65.6
|
1.0
|
|
HB2
|
F:CYS70
|
4.2
|
67.2
|
1.0
|
|
C
|
F:CYS76
|
4.2
|
69.0
|
1.0
|
|
SG
|
F:CYS111
|
4.2
|
55.0
|
1.0
|
|
HB2
|
F:CYS76
|
4.4
|
68.2
|
1.0
|
|
N
|
F:ALA69
|
4.4
|
59.3
|
1.0
|
|
HA
|
F:SER68
|
4.4
|
61.7
|
1.0
|
|
C
|
F:SER75
|
4.4
|
67.5
|
1.0
|
|
CA
|
F:GLY74
|
4.5
|
59.4
|
1.0
|
|
N
|
F:GLY74
|
4.5
|
57.5
|
1.0
|
|
HA2
|
F:GLY77
|
4.5
|
70.3
|
1.0
|
|
SG
|
F:CYS79
|
4.6
|
69.0
|
1.0
|
|
C
|
F:GLY74
|
4.6
|
58.5
|
1.0
|
|
CA
|
F:GLY77
|
4.6
|
70.4
|
1.0
|
|
H
|
F:CYS79
|
4.7
|
63.9
|
1.0
|
|
N
|
F:GLN78
|
4.7
|
66.9
|
1.0
|
|
CA
|
F:SER75
|
4.7
|
67.4
|
1.0
|
|
C
|
F:ALA69
|
4.7
|
64.4
|
1.0
|
|
H
|
F:GLY73
|
4.7
|
55.5
|
1.0
|
|
HB1
|
F:ALA69
|
4.8
|
63.5
|
1.0
|
|
C
|
F:GLY71
|
4.8
|
62.0
|
1.0
|
|
HB2
|
F:SER75
|
4.8
|
66.0
|
1.0
|
|
HB2
|
F:SER68
|
4.8
|
61.8
|
1.0
|
|
HA
|
F:CYS70
|
4.8
|
66.3
|
1.0
|
|
HA
|
F:CYS76
|
4.8
|
68.1
|
1.0
|
|
CA
|
F:GLY71
|
4.8
|
61.0
|
1.0
|
|
HB3
|
F:CYS79
|
4.9
|
64.1
|
1.0
|
|
Iron binding site 4 out
of 4 in 8a1x
Go back to
Iron Binding Sites List in 8a1x
Iron binding site 4 out
of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Dqa within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe1502
b:98.0
occ:1.00
|
FE2
|
F:FES1502
|
0.0
|
98.0
|
1.0
|
|
S1
|
F:FES1502
|
2.2
|
95.1
|
1.0
|
|
S2
|
F:FES1502
|
2.2
|
94.1
|
1.0
|
|
SG
|
F:CYS79
|
2.3
|
69.0
|
1.0
|
|
SG
|
F:CYS111
|
2.3
|
55.0
|
1.0
|
|
FE1
|
F:FES1502
|
2.7
|
103.0
|
1.0
|
|
HB3
|
F:CYS111
|
3.0
|
58.8
|
1.0
|
|
CB
|
F:CYS111
|
3.3
|
59.6
|
1.0
|
|
HA2
|
F:GLY74
|
3.4
|
58.7
|
1.0
|
|
HB3
|
F:CYS79
|
3.5
|
64.1
|
1.0
|
|
H
|
F:CYS111
|
3.6
|
58.6
|
1.0
|
|
CB
|
F:CYS79
|
3.6
|
64.8
|
1.0
|
|
HB3
|
F:LEU109
|
3.7
|
54.8
|
1.0
|
|
O
|
F:GLY71
|
3.8
|
66.4
|
1.0
|
|
HD22
|
F:LEU109
|
3.9
|
55.4
|
1.0
|
|
H
|
F:GLY74
|
3.9
|
58.0
|
1.0
|
|
HB2
|
F:CYS111
|
3.9
|
58.6
|
1.0
|
|
H
|
F:CYS79
|
3.9
|
63.9
|
1.0
|
|
H
|
F:GLY77
|
4.0
|
70.3
|
1.0
|
|
HD13
|
F:LEU109
|
4.2
|
55.5
|
1.0
|
|
HB2
|
F:CYS79
|
4.2
|
64.3
|
1.0
|
|
SG
|
F:CYS70
|
4.3
|
74.3
|
1.0
|
|
CA
|
F:GLY74
|
4.3
|
59.4
|
1.0
|
|
N
|
F:CYS111
|
4.3
|
60.0
|
1.0
|
|
HD22
|
F:LEU56
|
4.3
|
60.0
|
1.0
|
|
CA
|
F:CYS111
|
4.4
|
58.2
|
1.0
|
|
N
|
F:GLY74
|
4.5
|
57.5
|
1.0
|
|
HA2
|
F:GLY77
|
4.5
|
70.3
|
1.0
|
|
SG
|
F:CYS76
|
4.6
|
72.6
|
1.0
|
|
N
|
F:CYS79
|
4.6
|
61.6
|
1.0
|
|
HB3
|
F:SER68
|
4.6
|
61.3
|
1.0
|
|
H
|
F:SER75
|
4.6
|
64.9
|
1.0
|
|
CB
|
F:LEU109
|
4.7
|
55.2
|
1.0
|
|
CA
|
F:CYS79
|
4.7
|
64.3
|
1.0
|
|
CD2
|
F:LEU109
|
4.7
|
52.5
|
1.0
|
|
H
|
F:GLN112
|
4.7
|
56.5
|
1.0
|
|
N
|
F:GLY77
|
4.8
|
71.1
|
1.0
|
|
HA
|
F:SER68
|
4.8
|
61.7
|
1.0
|
|
H
|
F:GLN78
|
4.8
|
68.3
|
1.0
|
|
H
|
F:GLY71
|
4.8
|
61.8
|
1.0
|
|
HA3
|
F:GLY74
|
4.9
|
58.8
|
1.0
|
|
HB2
|
F:SER68
|
4.9
|
61.8
|
1.0
|
|
H
|
F:GLY73
|
4.9
|
55.5
|
1.0
|
|
H
|
F:CYS76
|
4.9
|
68.4
|
1.0
|
|
C
|
F:GLY71
|
4.9
|
62.0
|
1.0
|
|
HA
|
F:LEU109
|
4.9
|
55.5
|
1.0
|
|
HD21
|
F:LEU109
|
5.0
|
55.2
|
1.0
|
|
Reference:
J.-L.Hau,
J.-L.Hau,
S.Kaltwasser,
J.Vonck,
G.Fritz,
J.Steuber.
N/A N/A.
Page generated: Thu Jul 27 15:55:57 2023
|
