Iron in PDB 8a1y: Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Hqno
Enzymatic activity of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Hqno
All present enzymatic activity of Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Hqno:
7.2.1.1;
Iron Binding Sites:
The binding sites of Iron atom in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Hqno
(pdb code 8a1y). 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 Hqno, PDB code: 8a1y:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 8a1y
Go back to
Iron Binding Sites List in 8a1y
Iron binding site 1 out
of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Hqno
 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 Hqno within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe1001
b:133.9
occ:1.00
|
FE1
|
D:FES1001
|
0.0
|
133.9
|
1.0
|
|
S2
|
D:FES1001
|
2.2
|
138.5
|
1.0
|
|
S1
|
D:FES1001
|
2.2
|
125.6
|
1.0
|
|
SG
|
E:CYS26
|
2.3
|
110.6
|
1.0
|
|
SG
|
D:CYS112
|
2.3
|
121.9
|
1.0
|
|
HB2
|
E:CYS26
|
2.5
|
98.5
|
1.0
|
|
FE2
|
D:FES1001
|
2.7
|
133.5
|
1.0
|
|
CB
|
E:CYS26
|
2.9
|
102.6
|
1.0
|
|
H
|
D:CYS112
|
3.2
|
108.2
|
1.0
|
|
H
|
D:GLY27
|
3.3
|
102.3
|
1.0
|
|
HB2
|
D:CYS112
|
3.3
|
108.9
|
1.0
|
|
HB3
|
E:CYS26
|
3.5
|
97.5
|
1.0
|
|
CB
|
D:CYS112
|
3.5
|
110.1
|
1.0
|
|
H
|
E:CYS26
|
3.5
|
96.7
|
1.0
|
|
N
|
D:CYS112
|
3.9
|
99.1
|
1.0
|
|
H
|
D:VAL28
|
4.0
|
92.5
|
1.0
|
|
HA
|
D:LEU26
|
4.0
|
100.2
|
1.0
|
|
N
|
D:GLY27
|
4.0
|
102.5
|
1.0
|
|
CA
|
E:CYS26
|
4.2
|
92.6
|
1.0
|
|
HB3
|
D:CYS112
|
4.2
|
108.8
|
1.0
|
|
N
|
E:CYS26
|
4.2
|
87.8
|
1.0
|
|
SG
|
D:CYS29
|
4.2
|
92.6
|
1.0
|
|
HA2
|
D:GLY27
|
4.3
|
101.9
|
1.0
|
|
CA
|
D:CYS112
|
4.3
|
109.0
|
1.0
|
|
HA
|
D:ASN111
|
4.4
|
103.8
|
1.0
|
|
H
|
D:CYS29
|
4.5
|
96.7
|
1.0
|
|
HG12
|
D:VAL28
|
4.5
|
94.2
|
1.0
|
|
SG
|
E:CYS120
|
4.6
|
117.4
|
1.0
|
|
HB2
|
E:CYS120
|
4.6
|
112.5
|
1.0
|
|
HA
|
E:CYS26
|
4.7
|
96.0
|
1.0
|
|
CA
|
D:GLY27
|
4.7
|
102.0
|
1.0
|
|
HA
|
D:CYS112
|
4.7
|
109.3
|
1.0
|
|
N
|
D:VAL28
|
4.7
|
90.3
|
1.0
|
|
H
|
E:THR27
|
4.8
|
89.8
|
1.0
|
|
CA
|
D:LEU26
|
4.9
|
99.0
|
1.0
|
|
C
|
D:LEU26
|
4.9
|
97.0
|
1.0
|
|
H
|
E:CYS120
|
4.9
|
111.5
|
1.0
|
|
HD23
|
D:LEU26
|
4.9
|
100.2
|
1.0
|
|
HA2
|
E:GLY24
|
4.9
|
104.6
|
1.0
|
|
HG22
|
D:THR110
|
4.9
|
116.7
|
1.0
|
|
Iron binding site 2 out
of 4 in 8a1y
Go back to
Iron Binding Sites List in 8a1y
Iron binding site 2 out
of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Hqno
 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 Hqno within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe1001
b:133.5
occ:1.00
|
FE2
|
D:FES1001
|
0.0
|
133.5
|
1.0
|
|
S2
|
D:FES1001
|
2.2
|
138.5
|
1.0
|
|
S1
|
D:FES1001
|
2.2
|
125.6
|
1.0
|
|
SG
|
D:CYS29
|
2.3
|
92.6
|
1.0
|
|
SG
|
E:CYS120
|
2.3
|
117.4
|
1.0
|
|
FE1
|
D:FES1001
|
2.7
|
133.9
|
1.0
|
|
HB2
|
E:CYS120
|
2.7
|
112.5
|
1.0
|
|
CB
|
E:CYS120
|
3.0
|
111.9
|
1.0
|
|
HB2
|
D:CYS29
|
3.3
|
95.7
|
1.0
|
|
CB
|
D:CYS29
|
3.4
|
91.7
|
1.0
|
|
HB3
|
E:CYS120
|
3.5
|
111.0
|
1.0
|
|
H
|
E:GLY24
|
3.6
|
104.1
|
1.0
|
|
H
|
D:CYS29
|
3.7
|
96.7
|
1.0
|
|
HA2
|
E:GLY24
|
3.8
|
104.6
|
1.0
|
|
H
|
E:MET25
|
3.9
|
93.5
|
1.0
|
|
H
|
E:CYS26
|
4.0
|
96.7
|
1.0
|
|
H
|
E:CYS120
|
4.0
|
111.5
|
1.0
|
|
HB3
|
D:CYS29
|
4.0
|
95.7
|
1.0
|
|
HG22
|
D:THR110
|
4.0
|
116.7
|
1.0
|
|
SG
|
E:CYS26
|
4.2
|
110.6
|
1.0
|
|
N
|
E:GLY24
|
4.3
|
105.2
|
1.0
|
|
HA
|
D:ASN111
|
4.3
|
103.8
|
1.0
|
|
CA
|
E:CYS120
|
4.3
|
105.3
|
1.0
|
|
N
|
D:CYS29
|
4.4
|
101.4
|
1.0
|
|
CA
|
E:GLY24
|
4.4
|
104.4
|
1.0
|
|
HB2
|
E:CYS26
|
4.4
|
98.5
|
1.0
|
|
H
|
D:CYS112
|
4.4
|
108.2
|
1.0
|
|
N
|
E:CYS120
|
4.5
|
105.8
|
1.0
|
|
N
|
E:MET25
|
4.5
|
86.7
|
1.0
|
|
HA
|
E:CYS120
|
4.6
|
110.5
|
1.0
|
|
CA
|
D:CYS29
|
4.6
|
96.0
|
1.0
|
|
SG
|
D:CYS112
|
4.6
|
121.9
|
1.0
|
|
HG12
|
D:VAL28
|
4.6
|
94.2
|
1.0
|
|
H
|
D:VAL28
|
4.7
|
92.5
|
1.0
|
|
N
|
E:CYS26
|
4.8
|
87.8
|
1.0
|
|
HA2
|
D:GLY27
|
4.9
|
101.9
|
1.0
|
|
CB
|
E:CYS26
|
4.9
|
102.6
|
1.0
|
|
C
|
E:GLY24
|
4.9
|
97.5
|
1.0
|
|
CG2
|
D:THR110
|
4.9
|
116.7
|
1.0
|
|
HD12
|
D:LEU107
|
4.9
|
111.8
|
1.0
|
|
H
|
D:GLY27
|
5.0
|
102.3
|
1.0
|
|
Iron binding site 3 out
of 4 in 8a1y
Go back to
Iron Binding Sites List in 8a1y
Iron binding site 3 out
of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Hqno
 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 Hqno within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe1502
b:318.9
occ:1.00
|
FE1
|
F:FES1502
|
0.0
|
318.9
|
1.0
|
|
S2
|
F:FES1502
|
2.2
|
315.2
|
1.0
|
|
S1
|
F:FES1502
|
2.2
|
314.4
|
1.0
|
|
SG
|
F:CYS76
|
2.3
|
271.0
|
1.0
|
|
SG
|
F:CYS70
|
2.3
|
276.8
|
1.0
|
|
FE2
|
F:FES1502
|
2.7
|
317.5
|
1.0
|
|
H
|
F:CYS76
|
2.8
|
269.9
|
1.0
|
|
H
|
F:GLY77
|
2.8
|
269.5
|
1.0
|
|
HB3
|
F:CYS70
|
3.2
|
273.6
|
1.0
|
|
H
|
F:CYS70
|
3.3
|
273.4
|
1.0
|
|
CB
|
F:CYS70
|
3.4
|
274.4
|
1.0
|
|
H
|
F:SER75
|
3.5
|
262.7
|
1.0
|
|
N
|
F:CYS76
|
3.5
|
270.7
|
1.0
|
|
N
|
F:GLY77
|
3.6
|
270.3
|
1.0
|
|
CB
|
F:CYS76
|
3.6
|
269.4
|
1.0
|
|
H
|
F:GLY72
|
3.6
|
258.9
|
1.0
|
|
HB3
|
F:CYS76
|
3.9
|
269.7
|
1.0
|
|
H
|
F:GLN78
|
3.9
|
265.0
|
1.0
|
|
CA
|
F:CYS76
|
4.0
|
270.3
|
1.0
|
|
N
|
F:CYS70
|
4.0
|
273.9
|
1.0
|
|
CA
|
F:CYS70
|
4.1
|
274.1
|
1.0
|
|
HB2
|
F:CYS70
|
4.1
|
273.6
|
1.0
|
|
N
|
F:SER75
|
4.2
|
263.1
|
1.0
|
|
H
|
F:GLY74
|
4.3
|
260.7
|
1.0
|
|
C
|
F:CYS76
|
4.3
|
270.4
|
1.0
|
|
HA
|
F:SER68
|
4.3
|
262.6
|
1.0
|
|
H
|
F:CYS79
|
4.3
|
261.0
|
1.0
|
|
SG
|
F:CYS111
|
4.4
|
255.8
|
1.0
|
|
H
|
F:GLY71
|
4.4
|
262.2
|
1.0
|
|
N
|
F:GLY72
|
4.4
|
258.8
|
1.0
|
|
HB2
|
F:CYS76
|
4.4
|
269.7
|
1.0
|
|
HA2
|
F:GLY74
|
4.4
|
260.7
|
1.0
|
|
HA2
|
F:GLY77
|
4.5
|
269.5
|
1.0
|
|
HA2
|
F:GLY72
|
4.5
|
258.8
|
1.0
|
|
SG
|
F:CYS79
|
4.5
|
262.0
|
1.0
|
|
HB2
|
F:SER75
|
4.5
|
262.7
|
1.0
|
|
C
|
F:CYS70
|
4.5
|
273.8
|
1.0
|
|
C
|
F:SER75
|
4.6
|
263.3
|
1.0
|
|
CA
|
F:GLY77
|
4.6
|
269.7
|
1.0
|
|
N
|
F:GLN78
|
4.6
|
265.9
|
1.0
|
|
N
|
F:GLY71
|
4.6
|
262.6
|
1.0
|
|
O
|
F:GLY72
|
4.8
|
258.0
|
1.0
|
|
CA
|
F:GLY72
|
4.8
|
258.9
|
1.0
|
|
HB2
|
F:GLN78
|
4.8
|
264.8
|
1.0
|
|
N
|
F:GLY74
|
4.8
|
261.2
|
1.0
|
|
CA
|
F:SER75
|
4.8
|
262.6
|
1.0
|
|
H
|
F:ALA69
|
4.9
|
262.1
|
1.0
|
|
C
|
F:GLY72
|
4.9
|
258.3
|
1.0
|
|
HA
|
F:CYS76
|
4.9
|
269.8
|
1.0
|
|
CA
|
F:GLY74
|
4.9
|
261.0
|
1.0
|
|
C
|
F:GLY74
|
4.9
|
260.7
|
1.0
|
|
Iron binding site 4 out
of 4 in 8a1y
Go back to
Iron Binding Sites List in 8a1y
Iron binding site 4 out
of 4 in the Sodium Pumping Nadh-Quinone Oxidoreductase with Inhibitor Hqno
 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 Hqno within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe1502
b:317.5
occ:1.00
|
FE2
|
F:FES1502
|
0.0
|
317.5
|
1.0
|
|
S2
|
F:FES1502
|
2.2
|
315.2
|
1.0
|
|
S1
|
F:FES1502
|
2.2
|
314.4
|
1.0
|
|
SG
|
F:CYS79
|
2.3
|
262.0
|
1.0
|
|
SG
|
F:CYS111
|
2.3
|
255.8
|
1.0
|
|
FE1
|
F:FES1502
|
2.7
|
318.9
|
1.0
|
|
HB3
|
F:CYS111
|
2.9
|
253.0
|
1.0
|
|
CB
|
F:CYS111
|
3.2
|
253.9
|
1.0
|
|
HB3
|
F:CYS79
|
3.6
|
260.7
|
1.0
|
|
H
|
F:CYS111
|
3.7
|
252.9
|
1.0
|
|
CB
|
F:CYS79
|
3.7
|
260.3
|
1.0
|
|
H
|
F:CYS79
|
3.7
|
261.0
|
1.0
|
|
HB2
|
F:CYS111
|
3.8
|
252.9
|
1.0
|
|
HA2
|
F:GLY74
|
3.9
|
260.7
|
1.0
|
|
H
|
F:GLY74
|
3.9
|
260.7
|
1.0
|
|
HD13
|
F:LEU109
|
3.9
|
252.6
|
1.0
|
|
H
|
F:GLY77
|
3.9
|
269.5
|
1.0
|
|
HA2
|
F:GLY72
|
3.9
|
258.8
|
1.0
|
|
HB3
|
F:LEU109
|
4.0
|
252.6
|
1.0
|
|
H
|
F:GLY72
|
4.2
|
258.9
|
1.0
|
|
HB2
|
F:CYS79
|
4.3
|
260.6
|
1.0
|
|
HA2
|
F:GLY77
|
4.3
|
269.5
|
1.0
|
|
HG2
|
F:GLN112
|
4.3
|
251.0
|
1.0
|
|
N
|
F:CYS111
|
4.3
|
253.1
|
1.0
|
|
SG
|
F:CYS70
|
4.3
|
276.8
|
1.0
|
|
CA
|
F:CYS111
|
4.4
|
253.4
|
1.0
|
|
N
|
F:CYS79
|
4.5
|
261.8
|
1.0
|
|
HD22
|
F:LEU109
|
4.5
|
252.8
|
1.0
|
|
SG
|
F:CYS76
|
4.5
|
271.0
|
1.0
|
|
N
|
F:GLY74
|
4.6
|
261.2
|
1.0
|
|
N
|
F:GLY77
|
4.7
|
270.3
|
1.0
|
|
CA
|
F:GLY74
|
4.7
|
261.0
|
1.0
|
|
CA
|
F:CYS79
|
4.7
|
261.5
|
1.0
|
|
CA
|
F:GLY72
|
4.7
|
258.9
|
1.0
|
|
H
|
F:SER75
|
4.7
|
262.7
|
1.0
|
|
HD13
|
F:LEU56
|
4.7
|
242.7
|
1.0
|
|
N
|
F:GLY72
|
4.8
|
258.8
|
1.0
|
|
CD1
|
F:LEU109
|
4.9
|
251.4
|
1.0
|
|
CA
|
F:GLY77
|
4.9
|
269.7
|
1.0
|
|
CB
|
F:LEU109
|
4.9
|
252.1
|
1.0
|
|
H
|
F:GLN78
|
4.9
|
265.0
|
1.0
|
|
HA
|
F:SER68
|
4.9
|
262.6
|
1.0
|
|
HD12
|
F:LEU56
|
4.9
|
242.7
|
1.0
|
|
Reference:
J.-L.Hau,
J.-L.Hau,
S.Kaltwasser,
J.Vonck,
G.Fritz,
J.Steuber.
N/A N/A.
Page generated: Fri Aug 9 16:04:49 2024
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