Iron in PDB 4u3f: Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
Enzymatic activity of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
All present enzymatic activity of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound:
1.10.2.2;
Protein crystallography data
The structure of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound, PDB code: 4u3f
was solved by
L.-S.Huang,
X.-L.Zhu,
G.F.Yang,
E.A.Berry,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
15.00 /
3.23
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
167.251,
181.483,
239.631,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
23.6 /
28.4
|
Iron Binding Sites:
The binding sites of Iron atom in the Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
(pdb code 4u3f). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the
Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound, PDB code: 4u3f:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 10 in 4u3f
Go back to
Iron Binding Sites List in 4u3f
Iron binding site 1 out
of 10 in the Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe501
b:19.5
occ:1.00
|
FE
|
C:HEM501
|
0.0
|
19.5
|
1.0
|
|
NE2
|
C:HIS84
|
2.0
|
26.4
|
1.0
|
|
NE2
|
C:HIS183
|
2.0
|
25.4
|
1.0
|
|
NB
|
C:HEM501
|
2.0
|
24.2
|
1.0
|
|
NC
|
C:HEM501
|
2.0
|
21.4
|
1.0
|
|
NA
|
C:HEM501
|
2.1
|
22.2
|
1.0
|
|
ND
|
C:HEM501
|
2.1
|
26.5
|
1.0
|
|
CE1
|
C:HIS84
|
2.7
|
28.7
|
1.0
|
|
CE1
|
C:HIS183
|
2.9
|
28.9
|
1.0
|
|
C1C
|
C:HEM501
|
3.1
|
24.2
|
1.0
|
|
C4B
|
C:HEM501
|
3.1
|
25.2
|
1.0
|
|
C1B
|
C:HEM501
|
3.1
|
24.3
|
1.0
|
|
C4A
|
C:HEM501
|
3.1
|
23.7
|
1.0
|
|
C4D
|
C:HEM501
|
3.1
|
24.4
|
1.0
|
|
C4C
|
C:HEM501
|
3.1
|
22.7
|
1.0
|
|
C1A
|
C:HEM501
|
3.1
|
22.9
|
1.0
|
|
CD2
|
C:HIS183
|
3.1
|
24.3
|
1.0
|
|
C1D
|
C:HEM501
|
3.1
|
24.1
|
1.0
|
|
CD2
|
C:HIS84
|
3.2
|
28.1
|
1.0
|
|
CHC
|
C:HEM501
|
3.4
|
25.2
|
1.0
|
|
CHA
|
C:HEM501
|
3.4
|
24.1
|
1.0
|
|
CHB
|
C:HEM501
|
3.4
|
21.9
|
1.0
|
|
CHD
|
C:HEM501
|
3.4
|
22.2
|
1.0
|
|
ND1
|
C:HIS84
|
3.9
|
31.1
|
1.0
|
|
ND1
|
C:HIS183
|
4.0
|
29.4
|
1.0
|
|
CG
|
C:HIS183
|
4.2
|
25.2
|
1.0
|
|
CG
|
C:HIS84
|
4.2
|
28.5
|
1.0
|
|
C2C
|
C:HEM501
|
4.3
|
24.9
|
1.0
|
|
C3A
|
C:HEM501
|
4.3
|
24.3
|
1.0
|
|
C2B
|
C:HEM501
|
4.3
|
28.2
|
1.0
|
|
C3D
|
C:HEM501
|
4.3
|
24.1
|
1.0
|
|
C2D
|
C:HEM501
|
4.3
|
23.2
|
1.0
|
|
C3C
|
C:HEM501
|
4.3
|
26.0
|
1.0
|
|
C3B
|
C:HEM501
|
4.3
|
27.6
|
1.0
|
|
C2A
|
C:HEM501
|
4.3
|
23.1
|
1.0
|
|
CA
|
C:GLY49
|
5.0
|
26.4
|
1.0
|
|
Iron binding site 2 out
of 10 in 4u3f
Go back to
Iron Binding Sites List in 4u3f
Iron binding site 2 out
of 10 in the Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe502
b:23.0
occ:1.00
|
FE
|
C:HEM502
|
0.0
|
23.0
|
1.0
|
|
NB
|
C:HEM502
|
2.0
|
22.2
|
1.0
|
|
ND
|
C:HEM502
|
2.0
|
21.9
|
1.0
|
|
NC
|
C:HEM502
|
2.0
|
22.5
|
1.0
|
|
NA
|
C:HEM502
|
2.1
|
24.4
|
1.0
|
|
NE2
|
C:HIS197
|
2.1
|
24.8
|
1.0
|
|
NE2
|
C:HIS98
|
2.1
|
28.1
|
1.0
|
|
CD2
|
C:HIS197
|
3.0
|
24.1
|
1.0
|
|
CE1
|
C:HIS197
|
3.0
|
27.4
|
1.0
|
|
C1C
|
C:HEM502
|
3.0
|
21.9
|
1.0
|
|
CD2
|
C:HIS98
|
3.0
|
25.3
|
1.0
|
|
C4C
|
C:HEM502
|
3.0
|
25.0
|
1.0
|
|
C4B
|
C:HEM502
|
3.1
|
24.3
|
1.0
|
|
CE1
|
C:HIS98
|
3.1
|
28.0
|
1.0
|
|
C1D
|
C:HEM502
|
3.1
|
21.2
|
1.0
|
|
C1B
|
C:HEM502
|
3.1
|
24.1
|
1.0
|
|
C4D
|
C:HEM502
|
3.1
|
26.2
|
1.0
|
|
C4A
|
C:HEM502
|
3.1
|
22.8
|
1.0
|
|
C1A
|
C:HEM502
|
3.1
|
24.7
|
1.0
|
|
CHC
|
C:HEM502
|
3.4
|
24.2
|
1.0
|
|
CHD
|
C:HEM502
|
3.4
|
23.9
|
1.0
|
|
CHB
|
C:HEM502
|
3.4
|
21.6
|
1.0
|
|
CHA
|
C:HEM502
|
3.4
|
25.9
|
1.0
|
|
ND1
|
C:HIS197
|
4.1
|
25.7
|
1.0
|
|
ND1
|
C:HIS98
|
4.1
|
30.3
|
1.0
|
|
CG
|
C:HIS197
|
4.1
|
26.5
|
1.0
|
|
CG
|
C:HIS98
|
4.2
|
25.3
|
1.0
|
|
C2C
|
C:HEM502
|
4.2
|
20.8
|
1.0
|
|
C3C
|
C:HEM502
|
4.3
|
23.0
|
1.0
|
|
C3B
|
C:HEM502
|
4.3
|
25.7
|
1.0
|
|
C2B
|
C:HEM502
|
4.3
|
26.8
|
1.0
|
|
C2D
|
C:HEM502
|
4.3
|
23.3
|
1.0
|
|
C3D
|
C:HEM502
|
4.3
|
25.1
|
1.0
|
|
C3A
|
C:HEM502
|
4.3
|
23.5
|
1.0
|
|
C2A
|
C:HEM502
|
4.3
|
26.7
|
1.0
|
|
Iron binding site 3 out
of 10 in 4u3f
Go back to
Iron Binding Sites List in 4u3f
Iron binding site 3 out
of 10 in the Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe501
b:29.5
occ:1.00
|
FE
|
D:HEC501
|
0.0
|
29.5
|
1.0
|
|
NE2
|
D:HIS41
|
2.0
|
31.2
|
1.0
|
|
NA
|
D:HEC501
|
2.0
|
36.5
|
1.0
|
|
ND
|
D:HEC501
|
2.0
|
33.1
|
1.0
|
|
NB
|
D:HEC501
|
2.1
|
29.4
|
1.0
|
|
NC
|
D:HEC501
|
2.1
|
36.5
|
1.0
|
|
SD
|
D:MET160
|
2.3
|
27.1
|
1.0
|
|
CD2
|
D:HIS41
|
2.9
|
34.1
|
1.0
|
|
CE1
|
D:HIS41
|
3.0
|
30.3
|
1.0
|
|
C4D
|
D:HEC501
|
3.1
|
32.3
|
1.0
|
|
C4B
|
D:HEC501
|
3.1
|
32.1
|
1.0
|
|
C4A
|
D:HEC501
|
3.1
|
35.7
|
1.0
|
|
C1A
|
D:HEC501
|
3.1
|
36.4
|
1.0
|
|
C1C
|
D:HEC501
|
3.1
|
42.0
|
1.0
|
|
C1B
|
D:HEC501
|
3.1
|
32.9
|
1.0
|
|
C1D
|
D:HEC501
|
3.1
|
38.9
|
1.0
|
|
C4C
|
D:HEC501
|
3.1
|
31.6
|
1.0
|
|
CHA
|
D:HEC501
|
3.4
|
33.4
|
1.0
|
|
CHC
|
D:HEC501
|
3.4
|
38.2
|
1.0
|
|
CHB
|
D:HEC501
|
3.4
|
33.5
|
1.0
|
|
CHD
|
D:HEC501
|
3.5
|
35.0
|
1.0
|
|
CG
|
D:MET160
|
3.6
|
33.4
|
1.0
|
|
CE
|
D:MET160
|
3.7
|
32.9
|
1.0
|
|
CG
|
D:HIS41
|
4.0
|
34.9
|
1.0
|
|
ND1
|
D:HIS41
|
4.0
|
33.6
|
1.0
|
|
C3B
|
D:HEC501
|
4.3
|
29.7
|
1.0
|
|
C3A
|
D:HEC501
|
4.3
|
33.6
|
1.0
|
|
C3D
|
D:HEC501
|
4.3
|
38.5
|
1.0
|
|
C2A
|
D:HEC501
|
4.3
|
29.7
|
1.0
|
|
C2B
|
D:HEC501
|
4.3
|
34.6
|
1.0
|
|
C2D
|
D:HEC501
|
4.3
|
40.0
|
1.0
|
|
C2C
|
D:HEC501
|
4.3
|
38.9
|
1.0
|
|
C3C
|
D:HEC501
|
4.3
|
40.0
|
1.0
|
|
CB
|
D:MET160
|
4.4
|
31.9
|
1.0
|
|
Iron binding site 4 out
of 10 in 4u3f
Go back to
Iron Binding Sites List in 4u3f
Iron binding site 4 out
of 10 in the Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe501
b:92.1
occ:0.81
|
FE1
|
E:FES501
|
0.0
|
92.1
|
0.8
|
|
SG
|
E:CYS158
|
2.2
|
0.2
|
0.8
|
|
SG
|
E:CYS139
|
2.2
|
0.6
|
1.0
|
|
S2
|
E:FES501
|
2.2
|
0.1
|
0.8
|
|
S1
|
E:FES501
|
2.2
|
1.0
|
0.8
|
|
CB
|
E:CYS139
|
2.8
|
0.4
|
1.0
|
|
FE2
|
E:FES501
|
3.1
|
0.6
|
0.8
|
|
CB
|
E:CYS158
|
3.2
|
0.2
|
0.8
|
|
OG
|
E:SER163
|
4.3
|
0.6
|
0.8
|
|
CA
|
E:CYS139
|
4.3
|
0.1
|
1.0
|
|
CB
|
E:HIS141
|
4.4
|
0.1
|
1.0
|
|
CB
|
E:SER163
|
4.4
|
0.7
|
0.8
|
|
CB
|
E:CYS160
|
4.5
|
0.0
|
1.0
|
|
CA
|
E:CYS158
|
4.6
|
0.5
|
0.8
|
|
CB
|
E:CYS144
|
4.8
|
96.0
|
1.0
|
|
ND1
|
E:HIS161
|
4.8
|
0.6
|
1.0
|
|
O
|
E:CYS144
|
4.8
|
0.8
|
1.0
|
|
N
|
E:HIS161
|
4.8
|
0.7
|
1.0
|
|
OH
|
E:TYR165
|
4.8
|
0.2
|
1.0
|
|
N
|
E:CYS144
|
4.9
|
95.4
|
1.0
|
|
N
|
E:LEU142
|
5.0
|
99.8
|
1.0
|
|
Iron binding site 5 out
of 10 in 4u3f
Go back to
Iron Binding Sites List in 4u3f
Iron binding site 5 out
of 10 in the Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe501
b:0.6
occ:0.81
|
FE2
|
E:FES501
|
0.0
|
0.6
|
0.8
|
|
ND1
|
E:HIS161
|
2.2
|
0.6
|
1.0
|
|
ND1
|
E:HIS141
|
2.2
|
0.8
|
1.0
|
|
S1
|
E:FES501
|
2.2
|
1.0
|
0.8
|
|
S2
|
E:FES501
|
2.2
|
0.1
|
0.8
|
|
CG
|
E:HIS161
|
3.0
|
0.1
|
1.0
|
|
CG
|
E:HIS141
|
3.0
|
0.1
|
1.0
|
|
FE1
|
E:FES501
|
3.1
|
92.1
|
0.8
|
|
CB
|
E:HIS161
|
3.2
|
0.7
|
1.0
|
|
CB
|
E:HIS141
|
3.2
|
0.1
|
1.0
|
|
CE1
|
E:HIS161
|
3.2
|
0.5
|
1.0
|
|
CE1
|
E:HIS141
|
3.3
|
0.3
|
1.0
|
|
N
|
E:LEU142
|
3.9
|
99.8
|
1.0
|
|
N
|
E:HIS161
|
3.9
|
0.7
|
1.0
|
|
CA
|
E:HIS161
|
4.1
|
0.3
|
1.0
|
|
CD2
|
E:HIS161
|
4.2
|
0.8
|
1.0
|
|
CD2
|
E:HIS141
|
4.2
|
0.9
|
1.0
|
|
NE2
|
E:HIS161
|
4.2
|
0.4
|
1.0
|
|
SG
|
E:CYS139
|
4.3
|
0.6
|
1.0
|
|
CB
|
E:LEU142
|
4.3
|
86.6
|
1.0
|
|
NE2
|
E:HIS141
|
4.3
|
96.9
|
1.0
|
|
CB
|
E:CYS160
|
4.4
|
0.0
|
1.0
|
|
CA
|
E:HIS141
|
4.4
|
0.0
|
1.0
|
|
C
|
E:HIS141
|
4.6
|
100.0
|
1.0
|
|
CG
|
E:LEU142
|
4.6
|
86.0
|
1.0
|
|
CG
|
E:PRO175
|
4.6
|
0.5
|
1.0
|
|
CA
|
E:LEU142
|
4.7
|
87.6
|
1.0
|
|
SG
|
E:CYS158
|
4.7
|
0.2
|
0.8
|
|
OG
|
E:SER163
|
4.7
|
0.6
|
0.8
|
|
C
|
E:CYS160
|
4.8
|
0.2
|
1.0
|
|
C
|
E:HIS161
|
4.8
|
0.8
|
1.0
|
|
Iron binding site 6 out
of 10 in 4u3f
Go back to
Iron Binding Sites List in 4u3f
Iron binding site 6 out
of 10 in the Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Fe402
b:31.1
occ:1.00
|
FE
|
P:HEM402
|
0.0
|
31.1
|
1.0
|
|
NE2
|
P:HIS84
|
2.0
|
34.2
|
1.0
|
|
NE2
|
P:HIS183
|
2.0
|
30.7
|
1.0
|
|
NC
|
P:HEM402
|
2.0
|
32.2
|
1.0
|
|
NB
|
P:HEM402
|
2.1
|
31.8
|
1.0
|
|
ND
|
P:HEM402
|
2.1
|
32.2
|
1.0
|
|
NA
|
P:HEM402
|
2.1
|
31.3
|
1.0
|
|
CE1
|
P:HIS84
|
2.8
|
35.3
|
1.0
|
|
CE1
|
P:HIS183
|
2.9
|
32.7
|
1.0
|
|
C1C
|
P:HEM402
|
3.1
|
34.1
|
1.0
|
|
C4D
|
P:HEM402
|
3.1
|
32.6
|
1.0
|
|
C1B
|
P:HEM402
|
3.1
|
31.0
|
1.0
|
|
C4A
|
P:HEM402
|
3.1
|
33.2
|
1.0
|
|
CD2
|
P:HIS183
|
3.1
|
31.0
|
1.0
|
|
C4B
|
P:HEM402
|
3.1
|
30.8
|
1.0
|
|
C1A
|
P:HEM402
|
3.1
|
31.0
|
1.0
|
|
C4C
|
P:HEM402
|
3.1
|
31.3
|
1.0
|
|
C1D
|
P:HEM402
|
3.1
|
32.6
|
1.0
|
|
CD2
|
P:HIS84
|
3.2
|
34.9
|
1.0
|
|
CHC
|
P:HEM402
|
3.4
|
32.0
|
1.0
|
|
CHA
|
P:HEM402
|
3.4
|
32.6
|
1.0
|
|
CHB
|
P:HEM402
|
3.4
|
30.9
|
1.0
|
|
CHD
|
P:HEM402
|
3.4
|
32.4
|
1.0
|
|
ND1
|
P:HIS84
|
4.0
|
34.7
|
1.0
|
|
ND1
|
P:HIS183
|
4.0
|
34.2
|
1.0
|
|
CG
|
P:HIS183
|
4.1
|
32.7
|
1.0
|
|
CG
|
P:HIS84
|
4.2
|
35.0
|
1.0
|
|
C2C
|
P:HEM402
|
4.3
|
35.5
|
1.0
|
|
C3D
|
P:HEM402
|
4.3
|
29.0
|
1.0
|
|
C3A
|
P:HEM402
|
4.3
|
31.5
|
1.0
|
|
C2D
|
P:HEM402
|
4.3
|
30.6
|
1.0
|
|
C2B
|
P:HEM402
|
4.3
|
32.7
|
1.0
|
|
C3C
|
P:HEM402
|
4.3
|
34.4
|
1.0
|
|
C2A
|
P:HEM402
|
4.3
|
32.4
|
1.0
|
|
C3B
|
P:HEM402
|
4.3
|
32.1
|
1.0
|
|
CA
|
P:GLY49
|
5.0
|
35.1
|
1.0
|
|
Iron binding site 7 out
of 10 in 4u3f
Go back to
Iron Binding Sites List in 4u3f
Iron binding site 7 out
of 10 in the Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Fe403
b:30.2
occ:1.00
|
FE
|
P:HEM403
|
0.0
|
30.2
|
1.0
|
|
ND
|
P:HEM403
|
2.0
|
33.3
|
1.0
|
|
NB
|
P:HEM403
|
2.0
|
27.8
|
1.0
|
|
NC
|
P:HEM403
|
2.0
|
28.5
|
1.0
|
|
NA
|
P:HEM403
|
2.1
|
31.4
|
1.0
|
|
NE2
|
P:HIS197
|
2.1
|
32.9
|
1.0
|
|
NE2
|
P:HIS98
|
2.1
|
42.3
|
1.0
|
|
CD2
|
P:HIS197
|
3.0
|
36.5
|
1.0
|
|
CE1
|
P:HIS197
|
3.0
|
34.0
|
1.0
|
|
CD2
|
P:HIS98
|
3.0
|
45.9
|
1.0
|
|
C1C
|
P:HEM403
|
3.0
|
31.2
|
1.0
|
|
C4C
|
P:HEM403
|
3.0
|
30.2
|
1.0
|
|
CE1
|
P:HIS98
|
3.1
|
42.6
|
1.0
|
|
C4B
|
P:HEM403
|
3.1
|
29.6
|
1.0
|
|
C1D
|
P:HEM403
|
3.1
|
32.9
|
1.0
|
|
C1B
|
P:HEM403
|
3.1
|
31.0
|
1.0
|
|
C4D
|
P:HEM403
|
3.1
|
33.4
|
1.0
|
|
C4A
|
P:HEM403
|
3.1
|
31.3
|
1.0
|
|
C1A
|
P:HEM403
|
3.1
|
32.6
|
1.0
|
|
CHC
|
P:HEM403
|
3.4
|
30.8
|
1.0
|
|
CHD
|
P:HEM403
|
3.4
|
34.8
|
1.0
|
|
CHB
|
P:HEM403
|
3.4
|
32.8
|
1.0
|
|
CHA
|
P:HEM403
|
3.4
|
35.6
|
1.0
|
|
ND1
|
P:HIS197
|
4.1
|
34.8
|
1.0
|
|
ND1
|
P:HIS98
|
4.1
|
42.8
|
1.0
|
|
CG
|
P:HIS197
|
4.1
|
40.9
|
1.0
|
|
CG
|
P:HIS98
|
4.1
|
43.9
|
1.0
|
|
C2C
|
P:HEM403
|
4.2
|
31.4
|
1.0
|
|
C3C
|
P:HEM403
|
4.2
|
30.0
|
1.0
|
|
C3B
|
P:HEM403
|
4.3
|
29.8
|
1.0
|
|
C2B
|
P:HEM403
|
4.3
|
28.6
|
1.0
|
|
C2D
|
P:HEM403
|
4.3
|
32.6
|
1.0
|
|
C3D
|
P:HEM403
|
4.3
|
34.0
|
1.0
|
|
C3A
|
P:HEM403
|
4.3
|
35.0
|
1.0
|
|
C2A
|
P:HEM403
|
4.3
|
38.9
|
1.0
|
|
Iron binding site 8 out
of 10 in 4u3f
Go back to
Iron Binding Sites List in 4u3f
Iron binding site 8 out
of 10 in the Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:Fe501
b:62.2
occ:1.00
|
FE
|
Q:HEC501
|
0.0
|
62.2
|
1.0
|
|
NE2
|
Q:HIS41
|
2.0
|
54.3
|
1.0
|
|
NA
|
Q:HEC501
|
2.0
|
50.8
|
1.0
|
|
ND
|
Q:HEC501
|
2.0
|
53.6
|
1.0
|
|
NB
|
Q:HEC501
|
2.1
|
48.5
|
1.0
|
|
NC
|
Q:HEC501
|
2.1
|
46.6
|
1.0
|
|
SD
|
Q:MET160
|
2.3
|
60.2
|
1.0
|
|
CD2
|
Q:HIS41
|
2.9
|
57.1
|
1.0
|
|
CE1
|
Q:HIS41
|
3.0
|
54.6
|
1.0
|
|
C4D
|
Q:HEC501
|
3.1
|
50.8
|
1.0
|
|
C4B
|
Q:HEC501
|
3.1
|
48.0
|
1.0
|
|
C1A
|
Q:HEC501
|
3.1
|
50.9
|
1.0
|
|
C4A
|
Q:HEC501
|
3.1
|
50.1
|
1.0
|
|
C1C
|
Q:HEC501
|
3.1
|
53.2
|
1.0
|
|
C1B
|
Q:HEC501
|
3.1
|
53.3
|
1.0
|
|
C1D
|
Q:HEC501
|
3.1
|
48.7
|
1.0
|
|
C4C
|
Q:HEC501
|
3.1
|
44.5
|
1.0
|
|
CHA
|
Q:HEC501
|
3.4
|
50.7
|
1.0
|
|
CHC
|
Q:HEC501
|
3.4
|
52.2
|
1.0
|
|
CHB
|
Q:HEC501
|
3.4
|
53.5
|
1.0
|
|
CHD
|
Q:HEC501
|
3.5
|
46.0
|
1.0
|
|
CG
|
Q:MET160
|
3.6
|
60.9
|
1.0
|
|
CE
|
Q:MET160
|
3.7
|
59.2
|
1.0
|
|
CG
|
Q:HIS41
|
4.0
|
57.8
|
1.0
|
|
ND1
|
Q:HIS41
|
4.0
|
57.2
|
1.0
|
|
C3B
|
Q:HEC501
|
4.3
|
49.3
|
1.0
|
|
C3A
|
Q:HEC501
|
4.3
|
45.1
|
1.0
|
|
C3D
|
Q:HEC501
|
4.3
|
53.6
|
1.0
|
|
C2A
|
Q:HEC501
|
4.3
|
49.0
|
1.0
|
|
C2D
|
Q:HEC501
|
4.3
|
48.8
|
1.0
|
|
C2B
|
Q:HEC501
|
4.3
|
52.2
|
1.0
|
|
C2C
|
Q:HEC501
|
4.3
|
51.5
|
1.0
|
|
C3C
|
Q:HEC501
|
4.3
|
49.8
|
1.0
|
|
CB
|
Q:MET160
|
4.4
|
63.3
|
1.0
|
|
Iron binding site 9 out
of 10 in 4u3f
Go back to
Iron Binding Sites List in 4u3f
Iron binding site 9 out
of 10 in the Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Fe501
b:0.5
occ:1.00
|
FE1
|
R:FES501
|
0.0
|
0.5
|
1.0
|
|
SG
|
R:CYS139
|
2.2
|
72.5
|
1.0
|
|
SG
|
R:CYS158
|
2.2
|
67.7
|
1.0
|
|
S1
|
R:FES501
|
2.2
|
71.1
|
1.0
|
|
S2
|
R:FES501
|
2.2
|
84.9
|
1.0
|
|
CB
|
R:CYS139
|
3.0
|
69.2
|
1.0
|
|
FE2
|
R:FES501
|
3.1
|
92.9
|
1.0
|
|
CB
|
R:CYS158
|
3.1
|
84.4
|
1.0
|
|
CB
|
R:HIS141
|
4.0
|
81.3
|
1.0
|
|
OG
|
R:SER163
|
4.3
|
77.8
|
0.9
|
|
CB
|
R:SER163
|
4.4
|
86.1
|
0.9
|
|
CA
|
R:CYS139
|
4.4
|
67.7
|
1.0
|
|
CB
|
R:CYS160
|
4.5
|
77.3
|
1.0
|
|
CB
|
R:CYS144
|
4.5
|
70.6
|
1.0
|
|
CA
|
R:CYS158
|
4.6
|
94.6
|
1.0
|
|
N
|
R:CYS144
|
4.7
|
66.9
|
1.0
|
|
N
|
R:LEU142
|
4.7
|
71.5
|
1.0
|
|
ND1
|
R:HIS141
|
4.7
|
88.1
|
1.0
|
|
ND1
|
R:HIS161
|
4.8
|
84.0
|
1.0
|
|
N
|
R:HIS161
|
4.8
|
83.4
|
1.0
|
|
OH
|
R:TYR165
|
4.9
|
89.5
|
1.0
|
|
CG
|
R:HIS141
|
4.9
|
83.9
|
1.0
|
|
N
|
R:HIS141
|
4.9
|
79.4
|
1.0
|
|
Iron binding site 10 out
of 10 in 4u3f
Go back to
Iron Binding Sites List in 4u3f
Iron binding site 10 out
of 10 in the Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Cytochrome BC1 Complex From Chicken with Designed Inhibitor Bound within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Fe501
b:92.9
occ:1.00
|
FE2
|
R:FES501
|
0.0
|
92.9
|
1.0
|
|
ND1
|
R:HIS141
|
2.2
|
88.1
|
1.0
|
|
ND1
|
R:HIS161
|
2.2
|
84.0
|
1.0
|
|
S1
|
R:FES501
|
2.2
|
71.1
|
1.0
|
|
S2
|
R:FES501
|
2.2
|
84.9
|
1.0
|
|
CG
|
R:HIS161
|
3.0
|
84.7
|
1.0
|
|
CG
|
R:HIS141
|
3.0
|
83.9
|
1.0
|
|
FE1
|
R:FES501
|
3.1
|
0.5
|
1.0
|
|
CB
|
R:HIS161
|
3.2
|
84.7
|
1.0
|
|
CE1
|
R:HIS141
|
3.2
|
87.0
|
1.0
|
|
CB
|
R:HIS141
|
3.2
|
81.3
|
1.0
|
|
CE1
|
R:HIS161
|
3.2
|
83.1
|
1.0
|
|
N
|
R:LEU142
|
3.9
|
71.5
|
1.0
|
|
N
|
R:HIS161
|
3.9
|
83.4
|
1.0
|
|
CA
|
R:HIS161
|
4.1
|
86.8
|
1.0
|
|
CD2
|
R:HIS141
|
4.1
|
81.7
|
1.0
|
|
CD2
|
R:HIS161
|
4.1
|
81.5
|
1.0
|
|
NE2
|
R:HIS141
|
4.2
|
81.5
|
1.0
|
|
NE2
|
R:HIS161
|
4.2
|
78.4
|
1.0
|
|
CB
|
R:LEU142
|
4.2
|
68.5
|
1.0
|
|
CB
|
R:CYS160
|
4.4
|
77.3
|
1.0
|
|
CA
|
R:HIS141
|
4.5
|
79.4
|
1.0
|
|
SG
|
R:CYS139
|
4.5
|
72.5
|
1.0
|
|
C
|
R:HIS141
|
4.6
|
76.8
|
1.0
|
|
CG
|
R:LEU142
|
4.6
|
62.7
|
1.0
|
|
CA
|
R:LEU142
|
4.7
|
63.1
|
1.0
|
|
SG
|
R:CYS158
|
4.7
|
67.7
|
1.0
|
|
OG
|
R:SER163
|
4.7
|
77.8
|
0.9
|
|
C
|
R:CYS160
|
4.8
|
79.7
|
1.0
|
|
C
|
R:HIS161
|
4.8
|
90.9
|
1.0
|
|
CD1
|
R:LEU142
|
4.9
|
54.1
|
1.0
|
|
CG
|
R:PRO175
|
5.0
|
81.6
|
1.0
|
|
Reference:
G.-F.Hao,
S.-G.Yang,
W.Huang,
L.Wang,
Y.-Q.Shen,
W.-L.Tu,
H.Li,
L.-S.Huang,
J.-W.Wu,
E.A.Berry,
G.-F.Yang.
Rational Design of Highly Potent and Slow-Binding Cytochrome BC1 Inhibitor As Fungicide By Computational Substitution Optimization Sci Rep V. 5 2015.
ISSN: ESSN 2045-2322
DOI: 10.1038/SREP13471
Page generated: Mon Aug 5 11:52:33 2024
|
