Iron in PDB 3cwb: Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
Protein crystallography data
The structure of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D, PDB code: 3cwb
was solved by
L.Huang,
T.Cromartie,
R.Viner,
P.J.Crowley,
E.A.Berry,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
21.98 /
3.51
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
174.778,
182.663,
242.945,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
28.5 /
31.9
|
Other elements in 3cwb:
The structure of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
(pdb code 3cwb). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the
Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D, PDB code: 3cwb:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 10 in 3cwb
Go back to
Iron Binding Sites List in 3cwb
Iron binding site 1 out
of 10 in the Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe501
b:34.4
occ:1.00
|
FE
|
C:HEM501
|
0.0
|
34.4
|
1.0
|
ND
|
C:HEM501
|
1.9
|
33.4
|
1.0
|
NC
|
C:HEM501
|
1.9
|
33.0
|
1.0
|
NA
|
C:HEM501
|
2.0
|
35.4
|
1.0
|
NB
|
C:HEM501
|
2.0
|
36.0
|
1.0
|
NE2
|
C:HIS183
|
2.0
|
31.3
|
1.0
|
NE2
|
C:HIS84
|
2.0
|
35.1
|
1.0
|
C1D
|
C:HEM501
|
2.9
|
33.2
|
1.0
|
C1C
|
C:HEM501
|
2.9
|
35.1
|
1.0
|
C4C
|
C:HEM501
|
2.9
|
31.7
|
1.0
|
C4D
|
C:HEM501
|
2.9
|
35.0
|
1.0
|
CE1
|
C:HIS84
|
2.9
|
35.7
|
1.0
|
CE1
|
C:HIS183
|
3.0
|
30.9
|
1.0
|
C1A
|
C:HEM501
|
3.0
|
36.6
|
1.0
|
CD2
|
C:HIS183
|
3.0
|
30.5
|
1.0
|
C4A
|
C:HEM501
|
3.0
|
37.1
|
1.0
|
C4B
|
C:HEM501
|
3.0
|
37.3
|
1.0
|
CD2
|
C:HIS84
|
3.1
|
36.6
|
1.0
|
C1B
|
C:HEM501
|
3.1
|
37.1
|
1.0
|
CHD
|
C:HEM501
|
3.2
|
32.4
|
1.0
|
CHA
|
C:HEM501
|
3.3
|
36.4
|
1.0
|
CHC
|
C:HEM501
|
3.3
|
37.4
|
1.0
|
CHB
|
C:HEM501
|
3.5
|
37.1
|
1.0
|
ND1
|
C:HIS84
|
4.1
|
37.3
|
1.0
|
ND1
|
C:HIS183
|
4.1
|
31.2
|
1.0
|
CG
|
C:HIS183
|
4.1
|
30.0
|
1.0
|
C3C
|
C:HEM501
|
4.1
|
32.4
|
1.0
|
C2D
|
C:HEM501
|
4.1
|
34.8
|
1.0
|
C2C
|
C:HEM501
|
4.2
|
33.2
|
1.0
|
C3D
|
C:HEM501
|
4.2
|
35.5
|
1.0
|
CG
|
C:HIS84
|
4.2
|
36.4
|
1.0
|
C2A
|
C:HEM501
|
4.2
|
38.8
|
1.0
|
C3A
|
C:HEM501
|
4.2
|
39.0
|
1.0
|
C3B
|
C:HEM501
|
4.3
|
36.7
|
1.0
|
C2B
|
C:HEM501
|
4.4
|
37.3
|
1.0
|
CA
|
C:GLY131
|
4.8
|
33.8
|
1.0
|
|
Iron binding site 2 out
of 10 in 3cwb
Go back to
Iron Binding Sites List in 3cwb
Iron binding site 2 out
of 10 in the Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe502
b:29.0
occ:1.00
|
FE
|
C:HEM502
|
0.0
|
29.0
|
1.0
|
NC
|
C:HEM502
|
1.9
|
28.3
|
1.0
|
ND
|
C:HEM502
|
1.9
|
30.2
|
1.0
|
NB
|
C:HEM502
|
1.9
|
31.5
|
1.0
|
NE2
|
C:HIS197
|
2.0
|
28.9
|
1.0
|
NA
|
C:HEM502
|
2.0
|
29.6
|
1.0
|
NE2
|
C:HIS98
|
2.0
|
33.0
|
1.0
|
CE1
|
C:HIS197
|
2.7
|
30.3
|
1.0
|
C1C
|
C:HEM502
|
2.9
|
28.4
|
1.0
|
C4B
|
C:HEM502
|
2.9
|
32.2
|
1.0
|
C1D
|
C:HEM502
|
2.9
|
30.2
|
1.0
|
C4C
|
C:HEM502
|
2.9
|
28.1
|
1.0
|
CD2
|
C:HIS98
|
3.0
|
35.4
|
1.0
|
C4D
|
C:HEM502
|
3.0
|
30.8
|
1.0
|
C1B
|
C:HEM502
|
3.0
|
31.6
|
1.0
|
C1A
|
C:HEM502
|
3.1
|
29.3
|
1.0
|
CE1
|
C:HIS98
|
3.1
|
34.2
|
1.0
|
CD2
|
C:HIS197
|
3.1
|
29.8
|
1.0
|
C4A
|
C:HEM502
|
3.1
|
28.6
|
1.0
|
CHC
|
C:HEM502
|
3.3
|
31.2
|
1.0
|
CHD
|
C:HEM502
|
3.3
|
29.0
|
1.0
|
CHA
|
C:HEM502
|
3.4
|
30.9
|
1.0
|
CHB
|
C:HEM502
|
3.4
|
30.3
|
1.0
|
ND1
|
C:HIS197
|
3.9
|
33.7
|
1.0
|
CG
|
C:HIS197
|
4.0
|
33.0
|
1.0
|
CG
|
C:HIS98
|
4.1
|
35.3
|
1.0
|
ND1
|
C:HIS98
|
4.1
|
34.9
|
1.0
|
C2D
|
C:HEM502
|
4.1
|
31.3
|
1.0
|
C3C
|
C:HEM502
|
4.1
|
27.2
|
1.0
|
C2C
|
C:HEM502
|
4.1
|
26.8
|
1.0
|
C3B
|
C:HEM502
|
4.2
|
32.3
|
1.0
|
C3D
|
C:HEM502
|
4.2
|
30.8
|
1.0
|
C2A
|
C:HEM502
|
4.2
|
28.0
|
1.0
|
C3A
|
C:HEM502
|
4.3
|
27.7
|
1.0
|
C2B
|
C:HEM502
|
4.3
|
31.9
|
1.0
|
|
Iron binding site 3 out
of 10 in 3cwb
Go back to
Iron Binding Sites List in 3cwb
Iron binding site 3 out
of 10 in the Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe501
b:36.8
occ:1.00
|
FE
|
D:HEC501
|
0.0
|
36.8
|
1.0
|
NA
|
D:HEC501
|
1.9
|
33.8
|
1.0
|
ND
|
D:HEC501
|
1.9
|
37.1
|
1.0
|
NC
|
D:HEC501
|
1.9
|
37.5
|
1.0
|
NE2
|
D:HIS41
|
2.0
|
41.7
|
1.0
|
NB
|
D:HEC501
|
2.0
|
34.0
|
1.0
|
SD
|
D:MET160
|
2.1
|
36.1
|
1.0
|
C4A
|
D:HEC501
|
2.9
|
33.2
|
1.0
|
C4C
|
D:HEC501
|
2.9
|
38.9
|
1.0
|
C1D
|
D:HEC501
|
3.0
|
37.2
|
1.0
|
C1A
|
D:HEC501
|
3.0
|
33.5
|
1.0
|
C4D
|
D:HEC501
|
3.0
|
37.5
|
1.0
|
CD2
|
D:HIS41
|
3.0
|
44.8
|
1.0
|
CE1
|
D:HIS41
|
3.0
|
44.6
|
1.0
|
C1B
|
D:HEC501
|
3.0
|
32.6
|
1.0
|
C1C
|
D:HEC501
|
3.0
|
36.9
|
1.0
|
C4B
|
D:HEC501
|
3.1
|
31.7
|
1.0
|
CHD
|
D:HEC501
|
3.3
|
37.4
|
1.0
|
CE
|
D:MET160
|
3.3
|
35.2
|
1.0
|
CHB
|
D:HEC501
|
3.3
|
33.1
|
1.0
|
CHA
|
D:HEC501
|
3.4
|
35.3
|
1.0
|
CHC
|
D:HEC501
|
3.5
|
33.9
|
1.0
|
CG
|
D:MET160
|
3.5
|
39.2
|
1.0
|
ND1
|
D:HIS41
|
4.1
|
45.1
|
1.0
|
CG
|
D:HIS41
|
4.1
|
44.5
|
1.0
|
C3A
|
D:HEC501
|
4.2
|
33.4
|
1.0
|
CB
|
D:MET160
|
4.2
|
44.4
|
1.0
|
C2A
|
D:HEC501
|
4.2
|
33.3
|
1.0
|
C3C
|
D:HEC501
|
4.2
|
40.6
|
1.0
|
C2D
|
D:HEC501
|
4.2
|
38.2
|
1.0
|
C3D
|
D:HEC501
|
4.3
|
38.8
|
1.0
|
C2C
|
D:HEC501
|
4.3
|
38.1
|
1.0
|
C2B
|
D:HEC501
|
4.3
|
30.8
|
1.0
|
C3B
|
D:HEC501
|
4.4
|
31.5
|
1.0
|
CB
|
D:PRO110
|
4.9
|
52.1
|
1.0
|
|
Iron binding site 4 out
of 10 in 3cwb
Go back to
Iron Binding Sites List in 3cwb
Iron binding site 4 out
of 10 in the Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe501
b:0.9
occ:0.82
|
FE1
|
E:FES501
|
0.0
|
0.9
|
0.8
|
S1
|
E:FES501
|
2.2
|
0.6
|
0.8
|
S2
|
E:FES501
|
2.2
|
0.6
|
0.8
|
SG
|
E:CYS158
|
2.2
|
0.6
|
0.8
|
SG
|
E:CYS139
|
2.3
|
0.5
|
0.8
|
FE2
|
E:FES501
|
2.7
|
0.2
|
0.8
|
CB
|
E:CYS158
|
3.0
|
0.7
|
0.8
|
CB
|
E:CYS139
|
3.1
|
0.3
|
0.8
|
CB
|
E:HIS141
|
3.8
|
0.3
|
0.8
|
CB
|
E:CYS160
|
4.2
|
0.6
|
0.8
|
O
|
E:CYS158
|
4.3
|
0.9
|
0.8
|
ND1
|
E:HIS141
|
4.3
|
1.0
|
0.8
|
CA
|
E:CYS158
|
4.3
|
0.1
|
0.8
|
ND1
|
E:HIS161
|
4.5
|
0.5
|
0.8
|
OG
|
E:SER163
|
4.5
|
0.4
|
0.8
|
N
|
E:HIS161
|
4.5
|
0.2
|
0.8
|
CA
|
E:CYS139
|
4.5
|
0.3
|
0.8
|
C
|
E:CYS158
|
4.6
|
0.4
|
0.8
|
CG
|
E:HIS141
|
4.6
|
0.5
|
0.8
|
CB
|
E:CYS144
|
4.6
|
0.3
|
0.8
|
N
|
E:LEU142
|
4.6
|
0.2
|
0.8
|
CB
|
E:SER163
|
4.7
|
0.0
|
0.8
|
N
|
E:CYS144
|
4.8
|
0.9
|
0.8
|
N
|
E:CYS160
|
4.8
|
0.4
|
0.8
|
CA
|
E:CYS160
|
4.9
|
0.5
|
0.8
|
CA
|
E:HIS141
|
5.0
|
0.6
|
0.8
|
O
|
E:CYS144
|
5.0
|
0.8
|
0.8
|
N
|
E:HIS141
|
5.0
|
0.1
|
0.8
|
|
Iron binding site 5 out
of 10 in 3cwb
Go back to
Iron Binding Sites List in 3cwb
Iron binding site 5 out
of 10 in the Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe501
b:0.2
occ:0.82
|
FE2
|
E:FES501
|
0.0
|
0.2
|
0.8
|
ND1
|
E:HIS161
|
2.1
|
0.5
|
0.8
|
ND1
|
E:HIS141
|
2.1
|
1.0
|
0.8
|
S2
|
E:FES501
|
2.2
|
0.6
|
0.8
|
S1
|
E:FES501
|
2.2
|
0.6
|
0.8
|
FE1
|
E:FES501
|
2.7
|
0.9
|
0.8
|
CG
|
E:HIS161
|
3.0
|
0.4
|
0.8
|
CG
|
E:HIS141
|
3.0
|
0.5
|
0.8
|
CE1
|
E:HIS161
|
3.1
|
0.1
|
0.8
|
CE1
|
E:HIS141
|
3.1
|
0.9
|
0.8
|
CB
|
E:HIS161
|
3.2
|
0.4
|
0.8
|
CB
|
E:HIS141
|
3.2
|
0.3
|
0.8
|
N
|
E:HIS161
|
3.6
|
0.2
|
0.8
|
CB
|
E:CYS160
|
3.9
|
0.6
|
0.8
|
CA
|
E:HIS161
|
4.0
|
0.4
|
0.8
|
N
|
E:LEU142
|
4.1
|
0.2
|
0.8
|
CD2
|
E:HIS161
|
4.2
|
0.8
|
0.8
|
C
|
E:CYS160
|
4.2
|
0.0
|
0.8
|
CD2
|
E:HIS141
|
4.2
|
0.2
|
0.8
|
NE2
|
E:HIS161
|
4.2
|
0.3
|
0.8
|
NE2
|
E:HIS141
|
4.2
|
0.8
|
0.8
|
SG
|
E:CYS139
|
4.3
|
0.5
|
0.8
|
CB
|
E:LEU142
|
4.5
|
0.4
|
0.8
|
SG
|
E:CYS158
|
4.5
|
0.6
|
0.8
|
CA
|
E:HIS141
|
4.6
|
0.6
|
0.8
|
CA
|
E:CYS160
|
4.6
|
0.5
|
0.8
|
C
|
E:HIS161
|
4.7
|
0.2
|
0.8
|
CG
|
E:LEU142
|
4.7
|
0.7
|
0.8
|
C
|
E:HIS141
|
4.7
|
0.5
|
0.8
|
CA
|
E:LEU142
|
4.8
|
0.2
|
0.8
|
O
|
E:CYS160
|
4.8
|
0.5
|
0.8
|
CD1
|
E:LEU142
|
4.9
|
0.2
|
0.8
|
OG
|
E:SER163
|
4.9
|
0.4
|
0.8
|
|
Iron binding site 6 out
of 10 in 3cwb
Go back to
Iron Binding Sites List in 3cwb
Iron binding site 6 out
of 10 in the Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Fe501
b:54.0
occ:1.00
|
FE
|
P:HEM501
|
0.0
|
54.0
|
1.0
|
NA
|
P:HEM501
|
1.9
|
59.3
|
1.0
|
NC
|
P:HEM501
|
1.9
|
56.8
|
1.0
|
ND
|
P:HEM501
|
1.9
|
56.3
|
1.0
|
NB
|
P:HEM501
|
2.0
|
58.8
|
1.0
|
NE2
|
P:HIS183
|
2.0
|
51.5
|
1.0
|
NE2
|
P:HIS84
|
2.0
|
56.2
|
1.0
|
CE1
|
P:HIS84
|
2.9
|
56.1
|
1.0
|
C1C
|
P:HEM501
|
3.0
|
58.4
|
1.0
|
CE1
|
P:HIS183
|
3.0
|
48.3
|
1.0
|
C1A
|
P:HEM501
|
3.0
|
61.5
|
1.0
|
C4D
|
P:HEM501
|
3.0
|
57.3
|
1.0
|
C1D
|
P:HEM501
|
3.0
|
55.8
|
1.0
|
C4C
|
P:HEM501
|
3.0
|
56.1
|
1.0
|
C4B
|
P:HEM501
|
3.0
|
60.1
|
1.0
|
C4A
|
P:HEM501
|
3.0
|
61.1
|
1.0
|
CD2
|
P:HIS183
|
3.0
|
47.3
|
1.0
|
CD2
|
P:HIS84
|
3.1
|
55.9
|
1.0
|
C1B
|
P:HEM501
|
3.1
|
60.8
|
1.0
|
CHC
|
P:HEM501
|
3.3
|
59.5
|
1.0
|
CHA
|
P:HEM501
|
3.3
|
59.4
|
1.0
|
CHD
|
P:HEM501
|
3.4
|
55.6
|
1.0
|
CHB
|
P:HEM501
|
3.4
|
61.5
|
1.0
|
ND1
|
P:HIS84
|
4.1
|
56.9
|
1.0
|
ND1
|
P:HIS183
|
4.1
|
46.8
|
1.0
|
CG
|
P:HIS183
|
4.1
|
43.5
|
1.0
|
CG
|
P:HIS84
|
4.2
|
57.0
|
1.0
|
C3D
|
P:HEM501
|
4.2
|
57.0
|
1.0
|
C2C
|
P:HEM501
|
4.2
|
58.0
|
1.0
|
C2D
|
P:HEM501
|
4.2
|
55.8
|
1.0
|
C2A
|
P:HEM501
|
4.2
|
63.1
|
1.0
|
C3C
|
P:HEM501
|
4.2
|
56.5
|
1.0
|
C3A
|
P:HEM501
|
4.3
|
61.5
|
1.0
|
C3B
|
P:HEM501
|
4.3
|
60.5
|
1.0
|
C2B
|
P:HEM501
|
4.3
|
60.4
|
1.0
|
CA
|
P:GLY131
|
4.9
|
54.2
|
1.0
|
|
Iron binding site 7 out
of 10 in 3cwb
Go back to
Iron Binding Sites List in 3cwb
Iron binding site 7 out
of 10 in the Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
P:Fe502
b:59.8
occ:1.00
|
FE
|
P:HEM502
|
0.0
|
59.8
|
1.0
|
ND
|
P:HEM502
|
1.9
|
61.6
|
1.0
|
NB
|
P:HEM502
|
1.9
|
60.1
|
1.0
|
NC
|
P:HEM502
|
1.9
|
60.5
|
1.0
|
NA
|
P:HEM502
|
1.9
|
59.7
|
1.0
|
NE2
|
P:HIS98
|
2.0
|
58.5
|
1.0
|
NE2
|
P:HIS197
|
2.0
|
59.8
|
1.0
|
CE1
|
P:HIS197
|
2.9
|
60.4
|
1.0
|
C4D
|
P:HEM502
|
2.9
|
62.2
|
1.0
|
C1C
|
P:HEM502
|
3.0
|
62.0
|
1.0
|
C1A
|
P:HEM502
|
3.0
|
60.5
|
1.0
|
C4B
|
P:HEM502
|
3.0
|
60.6
|
1.0
|
C1D
|
P:HEM502
|
3.0
|
63.3
|
1.0
|
CD2
|
P:HIS98
|
3.0
|
58.3
|
1.0
|
C4C
|
P:HEM502
|
3.0
|
62.3
|
1.0
|
C4A
|
P:HEM502
|
3.0
|
60.1
|
1.0
|
C1B
|
P:HEM502
|
3.0
|
60.3
|
1.0
|
CE1
|
P:HIS98
|
3.0
|
58.0
|
1.0
|
CD2
|
P:HIS197
|
3.0
|
59.5
|
1.0
|
CHA
|
P:HEM502
|
3.3
|
60.8
|
1.0
|
CHC
|
P:HEM502
|
3.3
|
61.5
|
1.0
|
CHD
|
P:HEM502
|
3.4
|
63.1
|
1.0
|
CHB
|
P:HEM502
|
3.4
|
60.1
|
1.0
|
ND1
|
P:HIS197
|
4.0
|
60.9
|
1.0
|
CG
|
P:HIS197
|
4.1
|
59.4
|
1.0
|
ND1
|
P:HIS98
|
4.1
|
57.8
|
1.0
|
CG
|
P:HIS98
|
4.1
|
59.8
|
1.0
|
C2A
|
P:HEM502
|
4.2
|
62.1
|
1.0
|
C3D
|
P:HEM502
|
4.2
|
63.8
|
1.0
|
C3A
|
P:HEM502
|
4.2
|
61.3
|
1.0
|
C2D
|
P:HEM502
|
4.2
|
64.0
|
1.0
|
C2C
|
P:HEM502
|
4.2
|
64.1
|
1.0
|
C3C
|
P:HEM502
|
4.2
|
64.1
|
1.0
|
C3B
|
P:HEM502
|
4.2
|
60.2
|
1.0
|
C2B
|
P:HEM502
|
4.3
|
60.4
|
1.0
|
|
Iron binding site 8 out
of 10 in 3cwb
Go back to
Iron Binding Sites List in 3cwb
Iron binding site 8 out
of 10 in the Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:Fe501
b:88.4
occ:1.00
|
FE
|
Q:HEC501
|
0.0
|
88.4
|
1.0
|
NC
|
Q:HEC501
|
1.9
|
86.5
|
1.0
|
ND
|
Q:HEC501
|
2.0
|
85.7
|
1.0
|
NE2
|
Q:HIS41
|
2.0
|
90.3
|
1.0
|
NB
|
Q:HEC501
|
2.0
|
85.3
|
1.0
|
NA
|
Q:HEC501
|
2.0
|
86.7
|
1.0
|
SD
|
Q:MET160
|
2.1
|
94.0
|
1.0
|
C4C
|
Q:HEC501
|
2.8
|
86.7
|
1.0
|
C1C
|
Q:HEC501
|
2.9
|
85.4
|
1.0
|
C1D
|
Q:HEC501
|
3.0
|
84.7
|
1.0
|
CD2
|
Q:HIS41
|
3.0
|
91.0
|
1.0
|
C1B
|
Q:HEC501
|
3.0
|
82.8
|
1.0
|
CE1
|
Q:HIS41
|
3.0
|
91.7
|
1.0
|
C4A
|
Q:HEC501
|
3.0
|
85.0
|
1.0
|
C4B
|
Q:HEC501
|
3.1
|
84.0
|
1.0
|
C4D
|
Q:HEC501
|
3.1
|
83.8
|
1.0
|
C1A
|
Q:HEC501
|
3.1
|
85.4
|
1.0
|
CHD
|
Q:HEC501
|
3.2
|
85.8
|
1.0
|
CHB
|
Q:HEC501
|
3.4
|
83.2
|
1.0
|
CHC
|
Q:HEC501
|
3.4
|
84.1
|
1.0
|
CE
|
Q:MET160
|
3.4
|
94.9
|
1.0
|
CG
|
Q:MET160
|
3.5
|
0.9
|
1.0
|
CHA
|
Q:HEC501
|
3.5
|
84.5
|
1.0
|
C3C
|
Q:HEC501
|
4.1
|
88.7
|
1.0
|
ND1
|
Q:HIS41
|
4.1
|
91.7
|
1.0
|
CG
|
Q:HIS41
|
4.1
|
91.6
|
1.0
|
C2C
|
Q:HEC501
|
4.1
|
86.7
|
1.0
|
C2B
|
Q:HEC501
|
4.2
|
82.3
|
1.0
|
CB
|
Q:MET160
|
4.2
|
0.3
|
1.0
|
C2D
|
Q:HEC501
|
4.2
|
83.8
|
1.0
|
C3B
|
Q:HEC501
|
4.3
|
83.8
|
1.0
|
C3A
|
Q:HEC501
|
4.3
|
84.9
|
1.0
|
C3D
|
Q:HEC501
|
4.3
|
82.8
|
1.0
|
C2A
|
Q:HEC501
|
4.3
|
84.9
|
1.0
|
CB
|
Q:PRO110
|
5.0
|
98.5
|
1.0
|
|
Iron binding site 9 out
of 10 in 3cwb
Go back to
Iron Binding Sites List in 3cwb
Iron binding site 9 out
of 10 in the Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Fe501
b:61.8
occ:1.00
|
FE1
|
R:FES501
|
0.0
|
61.8
|
1.0
|
S2
|
R:FES501
|
2.2
|
63.3
|
1.0
|
S1
|
R:FES501
|
2.2
|
62.9
|
1.0
|
SG
|
R:CYS158
|
2.3
|
64.8
|
1.0
|
SG
|
R:CYS139
|
2.3
|
62.4
|
1.0
|
FE2
|
R:FES501
|
2.7
|
60.7
|
1.0
|
CB
|
R:CYS158
|
3.0
|
66.3
|
1.0
|
CB
|
R:CYS139
|
3.1
|
61.5
|
1.0
|
CB
|
R:HIS141
|
3.9
|
58.5
|
1.0
|
CB
|
R:CYS160
|
4.3
|
60.2
|
1.0
|
ND1
|
R:HIS141
|
4.3
|
58.4
|
1.0
|
CA
|
R:CYS158
|
4.4
|
65.8
|
1.0
|
CB
|
R:CYS144
|
4.4
|
60.0
|
1.0
|
O
|
R:CYS158
|
4.4
|
64.2
|
1.0
|
OG
|
R:SER163
|
4.5
|
64.5
|
1.0
|
ND1
|
R:HIS161
|
4.5
|
57.2
|
1.0
|
N
|
R:CYS144
|
4.6
|
59.3
|
1.0
|
CG
|
R:HIS141
|
4.6
|
58.6
|
1.0
|
CA
|
R:CYS139
|
4.6
|
61.0
|
1.0
|
N
|
R:HIS161
|
4.6
|
57.1
|
1.0
|
C
|
R:CYS158
|
4.7
|
63.8
|
1.0
|
CB
|
R:SER163
|
4.7
|
66.1
|
1.0
|
N
|
R:LEU142
|
4.7
|
58.5
|
1.0
|
O
|
R:CYS144
|
4.8
|
60.6
|
1.0
|
N
|
R:CYS160
|
4.9
|
60.8
|
1.0
|
CA
|
R:CYS144
|
5.0
|
59.3
|
1.0
|
CA
|
R:CYS160
|
5.0
|
59.8
|
1.0
|
|
Iron binding site 10 out
of 10 in 3cwb
Go back to
Iron Binding Sites List in 3cwb
Iron binding site 10 out
of 10 in the Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Chicken Cytochrome BC1 Complex Inhibited By An Iodinated Analogue of the Polyketide Crocacin-D within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Fe501
b:60.7
occ:1.00
|
FE2
|
R:FES501
|
0.0
|
60.7
|
1.0
|
ND1
|
R:HIS141
|
2.1
|
58.4
|
1.0
|
ND1
|
R:HIS161
|
2.1
|
57.2
|
1.0
|
S2
|
R:FES501
|
2.2
|
63.3
|
1.0
|
S1
|
R:FES501
|
2.2
|
62.9
|
1.0
|
FE1
|
R:FES501
|
2.7
|
61.8
|
1.0
|
CG
|
R:HIS161
|
3.0
|
55.4
|
1.0
|
CG
|
R:HIS141
|
3.0
|
58.6
|
1.0
|
CE1
|
R:HIS141
|
3.1
|
58.7
|
1.0
|
CE1
|
R:HIS161
|
3.2
|
55.4
|
1.0
|
CB
|
R:HIS161
|
3.2
|
56.1
|
1.0
|
CB
|
R:HIS141
|
3.3
|
58.5
|
1.0
|
N
|
R:HIS161
|
3.8
|
57.1
|
1.0
|
N
|
R:LEU142
|
4.0
|
58.5
|
1.0
|
CA
|
R:HIS161
|
4.1
|
57.5
|
1.0
|
CB
|
R:CYS160
|
4.1
|
60.2
|
1.0
|
CD2
|
R:HIS141
|
4.2
|
58.7
|
1.0
|
CD2
|
R:HIS161
|
4.2
|
53.7
|
1.0
|
NE2
|
R:HIS141
|
4.2
|
58.2
|
1.0
|
NE2
|
R:HIS161
|
4.2
|
52.6
|
1.0
|
C
|
R:CYS160
|
4.3
|
58.1
|
1.0
|
SG
|
R:CYS139
|
4.3
|
62.4
|
1.0
|
CB
|
R:LEU142
|
4.4
|
55.2
|
1.0
|
SG
|
R:CYS158
|
4.5
|
64.8
|
1.0
|
CA
|
R:HIS141
|
4.7
|
60.6
|
1.0
|
CD1
|
R:LEU142
|
4.7
|
52.6
|
1.0
|
CA
|
R:CYS160
|
4.7
|
59.8
|
1.0
|
C
|
R:HIS161
|
4.8
|
59.2
|
1.0
|
CA
|
R:LEU142
|
4.8
|
57.0
|
1.0
|
OG
|
R:SER163
|
4.8
|
64.5
|
1.0
|
C
|
R:HIS141
|
4.8
|
59.9
|
1.0
|
O
|
R:CYS160
|
4.9
|
56.7
|
1.0
|
CG
|
R:LEU142
|
4.9
|
53.3
|
1.0
|
|
Reference:
P.J.Crowley,
E.A.Berry,
T.Cromartie,
F.Daldal,
C.R.Godfrey,
D.W.Lee,
J.E.Phillips,
A.Taylor,
R.Viner.
The Role of Molecular Modeling in the Design of Analogues of the Fungicidal Natural Products Crocacins A and D. Bioorg.Med.Chem. V. 16 10345 2008.
ISSN: ISSN 0968-0896
PubMed: 18996700
DOI: 10.1016/J.BMC.2008.10.030
Page generated: Sun Aug 4 08:33:48 2024
|