Iron in PDB 1l0l: Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone
Enzymatic activity of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone
All present enzymatic activity of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone:
1.10.2.2;
Protein crystallography data
The structure of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone, PDB code: 1l0l
was solved by
X.Gao,
X.Wen,
C.A.Yu,
L.Esser,
S.Tsao,
B.Quinn,
L.Zhang,
L.Yu,
D.Xia,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
40.00 /
2.35
|
Space group
|
I 41 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
154.094,
154.094,
591.839,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
25.9 /
30.6
|
Iron Binding Sites:
The binding sites of Iron atom in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone
(pdb code 1l0l). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the
Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone, PDB code: 1l0l:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
Iron binding site 1 out
of 5 in 1l0l
Go back to
Iron Binding Sites List in 1l0l
Iron binding site 1 out
of 5 in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe609
b:22.1
occ:1.00
|
FE
|
C:HEM609
|
0.0
|
22.1
|
1.0
|
ND
|
C:HEM609
|
2.0
|
25.6
|
1.0
|
NB
|
C:HEM609
|
2.0
|
26.1
|
1.0
|
NC
|
C:HEM609
|
2.0
|
23.6
|
1.0
|
NA
|
C:HEM609
|
2.1
|
21.3
|
1.0
|
NE2
|
C:HIS196
|
2.2
|
15.8
|
1.0
|
NE2
|
C:HIS97
|
2.2
|
14.3
|
1.0
|
CD2
|
C:HIS97
|
2.9
|
21.6
|
1.0
|
CD2
|
C:HIS196
|
3.0
|
17.9
|
1.0
|
C1D
|
C:HEM609
|
3.1
|
24.9
|
1.0
|
C1B
|
C:HEM609
|
3.1
|
22.4
|
1.0
|
C4C
|
C:HEM609
|
3.1
|
25.3
|
1.0
|
C4A
|
C:HEM609
|
3.1
|
27.7
|
1.0
|
C4B
|
C:HEM609
|
3.1
|
22.2
|
1.0
|
C4D
|
C:HEM609
|
3.1
|
24.9
|
1.0
|
C1C
|
C:HEM609
|
3.1
|
20.0
|
1.0
|
C1A
|
C:HEM609
|
3.1
|
17.1
|
1.0
|
CE1
|
C:HIS196
|
3.2
|
13.3
|
1.0
|
CE1
|
C:HIS97
|
3.4
|
20.9
|
1.0
|
CHD
|
C:HEM609
|
3.6
|
29.4
|
1.0
|
CHB
|
C:HEM609
|
3.6
|
23.5
|
1.0
|
CHA
|
C:HEM609
|
3.6
|
15.9
|
1.0
|
CHC
|
C:HEM609
|
3.6
|
17.8
|
1.0
|
C2D
|
C:HEM609
|
4.2
|
23.6
|
1.0
|
C2B
|
C:HEM609
|
4.2
|
21.6
|
1.0
|
C3B
|
C:HEM609
|
4.2
|
19.1
|
1.0
|
C3C
|
C:HEM609
|
4.2
|
22.4
|
1.0
|
C2C
|
C:HEM609
|
4.2
|
20.2
|
1.0
|
C3D
|
C:HEM609
|
4.2
|
27.4
|
1.0
|
CG
|
C:HIS97
|
4.2
|
20.4
|
1.0
|
CG
|
C:HIS196
|
4.2
|
20.0
|
1.0
|
ND1
|
C:HIS196
|
4.3
|
20.6
|
1.0
|
C3A
|
C:HEM609
|
4.4
|
27.0
|
1.0
|
C2A
|
C:HEM609
|
4.4
|
23.7
|
1.0
|
ND1
|
C:HIS97
|
4.4
|
22.3
|
1.0
|
|
Iron binding site 2 out
of 5 in 1l0l
Go back to
Iron Binding Sites List in 1l0l
Iron binding site 2 out
of 5 in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe610
b:20.5
occ:1.00
|
FE
|
C:HEM610
|
0.0
|
20.5
|
1.0
|
NB
|
C:HEM610
|
2.0
|
26.3
|
1.0
|
ND
|
C:HEM610
|
2.0
|
23.6
|
1.0
|
NC
|
C:HEM610
|
2.0
|
29.2
|
1.0
|
NE2
|
C:HIS182
|
2.1
|
16.6
|
1.0
|
NE2
|
C:HIS83
|
2.1
|
15.3
|
1.0
|
NA
|
C:HEM610
|
2.1
|
22.0
|
1.0
|
CE1
|
C:HIS182
|
2.9
|
12.6
|
1.0
|
C1B
|
C:HEM610
|
3.1
|
23.9
|
1.0
|
C4D
|
C:HEM610
|
3.1
|
22.6
|
1.0
|
C4C
|
C:HEM610
|
3.1
|
29.7
|
1.0
|
C4B
|
C:HEM610
|
3.1
|
28.0
|
1.0
|
CE1
|
C:HIS83
|
3.1
|
15.6
|
1.0
|
C1C
|
C:HEM610
|
3.1
|
27.2
|
1.0
|
C1D
|
C:HEM610
|
3.1
|
25.0
|
1.0
|
C4A
|
C:HEM610
|
3.1
|
23.7
|
1.0
|
C1A
|
C:HEM610
|
3.1
|
18.0
|
1.0
|
CD2
|
C:HIS83
|
3.1
|
19.9
|
1.0
|
CD2
|
C:HIS182
|
3.2
|
13.7
|
1.0
|
CHB
|
C:HEM610
|
3.6
|
24.9
|
1.0
|
CHA
|
C:HEM610
|
3.6
|
19.2
|
1.0
|
CHD
|
C:HEM610
|
3.6
|
26.9
|
1.0
|
CHC
|
C:HEM610
|
3.6
|
27.1
|
1.0
|
ND1
|
C:HIS182
|
4.1
|
17.0
|
1.0
|
C3C
|
C:HEM610
|
4.2
|
27.5
|
1.0
|
C2C
|
C:HEM610
|
4.2
|
27.1
|
1.0
|
C2B
|
C:HEM610
|
4.2
|
28.4
|
1.0
|
C3B
|
C:HEM610
|
4.2
|
29.4
|
1.0
|
C3D
|
C:HEM610
|
4.2
|
23.4
|
1.0
|
ND1
|
C:HIS83
|
4.2
|
16.3
|
1.0
|
C2D
|
C:HEM610
|
4.2
|
25.2
|
1.0
|
CG
|
C:HIS83
|
4.3
|
19.8
|
1.0
|
CG
|
C:HIS182
|
4.3
|
17.3
|
1.0
|
C3A
|
C:HEM610
|
4.4
|
19.7
|
1.0
|
C2A
|
C:HEM610
|
4.4
|
16.9
|
1.0
|
CA
|
C:GLY130
|
4.9
|
21.2
|
1.0
|
OE1
|
C:GLN44
|
4.9
|
24.3
|
1.0
|
CA
|
C:GLY48
|
5.0
|
20.2
|
1.0
|
|
Iron binding site 3 out
of 5 in 1l0l
Go back to
Iron Binding Sites List in 1l0l
Iron binding site 3 out
of 5 in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe242
b:15.1
occ:1.00
|
FE
|
D:HEM242
|
0.0
|
15.1
|
1.0
|
NC
|
D:HEM242
|
1.9
|
15.8
|
1.0
|
ND
|
D:HEM242
|
2.0
|
14.8
|
1.0
|
NA
|
D:HEM242
|
2.1
|
12.9
|
1.0
|
NB
|
D:HEM242
|
2.1
|
15.4
|
1.0
|
NE2
|
D:HIS41
|
2.2
|
24.8
|
1.0
|
SD
|
D:MET160
|
2.7
|
26.3
|
1.0
|
C4C
|
D:HEM242
|
3.0
|
15.9
|
1.0
|
C1C
|
D:HEM242
|
3.0
|
17.9
|
1.0
|
C1D
|
D:HEM242
|
3.0
|
15.3
|
1.0
|
C4D
|
D:HEM242
|
3.0
|
13.4
|
1.0
|
C1A
|
D:HEM242
|
3.1
|
13.8
|
1.0
|
C4B
|
D:HEM242
|
3.1
|
15.7
|
1.0
|
C4A
|
D:HEM242
|
3.1
|
11.5
|
1.0
|
CE
|
D:MET160
|
3.2
|
27.2
|
1.0
|
C1B
|
D:HEM242
|
3.2
|
16.3
|
1.0
|
CE1
|
D:HIS41
|
3.2
|
26.3
|
1.0
|
CD2
|
D:HIS41
|
3.2
|
25.4
|
1.0
|
CHD
|
D:HEM242
|
3.3
|
15.3
|
1.0
|
CHA
|
D:HEM242
|
3.4
|
15.1
|
1.0
|
CHC
|
D:HEM242
|
3.4
|
19.9
|
1.0
|
CHB
|
D:HEM242
|
3.5
|
12.2
|
1.0
|
CG
|
D:MET160
|
3.5
|
23.2
|
1.0
|
C3C
|
D:HEM242
|
4.2
|
15.5
|
1.0
|
CB
|
D:MET160
|
4.2
|
22.9
|
1.0
|
C2C
|
D:HEM242
|
4.2
|
15.3
|
1.0
|
C2D
|
D:HEM242
|
4.2
|
15.4
|
1.0
|
C3D
|
D:HEM242
|
4.3
|
15.1
|
1.0
|
ND1
|
D:HIS41
|
4.3
|
27.4
|
1.0
|
C2A
|
D:HEM242
|
4.3
|
9.9
|
1.0
|
C3A
|
D:HEM242
|
4.3
|
9.9
|
1.0
|
C3B
|
D:HEM242
|
4.3
|
15.4
|
1.0
|
CG
|
D:HIS41
|
4.3
|
25.4
|
1.0
|
C2B
|
D:HEM242
|
4.4
|
17.4
|
1.0
|
|
Iron binding site 4 out
of 5 in 1l0l
Go back to
Iron Binding Sites List in 1l0l
Iron binding site 4 out
of 5 in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe197
b:20.7
occ:1.00
|
FE1
|
E:FES197
|
0.0
|
20.7
|
1.0
|
SG
|
E:CYS158
|
2.0
|
17.0
|
1.0
|
S1
|
E:FES197
|
2.2
|
20.0
|
1.0
|
S2
|
E:FES197
|
2.2
|
21.5
|
1.0
|
SG
|
E:CYS139
|
2.7
|
7.5
|
1.0
|
FE2
|
E:FES197
|
2.7
|
14.1
|
1.0
|
CB
|
E:CYS158
|
3.4
|
18.6
|
1.0
|
CB
|
E:CYS144
|
3.5
|
20.6
|
1.0
|
CB
|
E:CYS139
|
3.7
|
11.4
|
1.0
|
O
|
E:PRO159
|
4.0
|
25.5
|
1.0
|
O
|
E:CYS144
|
4.1
|
19.4
|
1.0
|
SG
|
E:CYS144
|
4.1
|
24.4
|
1.0
|
CB
|
E:HIS141
|
4.1
|
13.7
|
1.0
|
N
|
E:CYS144
|
4.5
|
17.9
|
1.0
|
ND1
|
E:HIS141
|
4.5
|
15.8
|
1.0
|
CA
|
E:CYS144
|
4.5
|
18.8
|
1.0
|
NE2
|
E:HIS161
|
4.5
|
32.6
|
1.0
|
CB
|
E:SER163
|
4.6
|
37.0
|
1.0
|
CA
|
E:CYS158
|
4.6
|
19.8
|
1.0
|
CE1
|
E:HIS161
|
4.7
|
36.6
|
1.0
|
C
|
E:CYS158
|
4.7
|
20.6
|
1.0
|
N
|
E:LEU142
|
4.7
|
13.7
|
1.0
|
O
|
E:CYS158
|
4.8
|
19.3
|
1.0
|
CB
|
E:CYS160
|
4.8
|
27.4
|
1.0
|
CG
|
E:HIS141
|
4.8
|
16.1
|
1.0
|
C
|
E:CYS144
|
4.8
|
17.8
|
1.0
|
C
|
E:PRO159
|
4.8
|
25.2
|
1.0
|
|
Iron binding site 5 out
of 5 in 1l0l
Go back to
Iron Binding Sites List in 1l0l
Iron binding site 5 out
of 5 in the Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Structure of Bovine Mitochondrial Cytochrome BC1 Complex with A Bound Fungicide Famoxadone within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe197
b:14.1
occ:1.00
|
FE2
|
E:FES197
|
0.0
|
14.1
|
1.0
|
NE2
|
E:HIS161
|
2.1
|
32.6
|
1.0
|
CE1
|
E:HIS161
|
2.1
|
36.6
|
1.0
|
S1
|
E:FES197
|
2.2
|
20.0
|
1.0
|
S2
|
E:FES197
|
2.2
|
21.5
|
1.0
|
ND1
|
E:HIS141
|
2.4
|
15.8
|
1.0
|
FE1
|
E:FES197
|
2.7
|
20.7
|
1.0
|
CD2
|
E:HIS161
|
3.1
|
33.6
|
1.0
|
ND1
|
E:HIS161
|
3.1
|
37.5
|
1.0
|
CE1
|
E:HIS141
|
3.3
|
10.8
|
1.0
|
CG
|
E:HIS141
|
3.3
|
16.1
|
1.0
|
CG
|
E:HIS161
|
3.5
|
36.4
|
1.0
|
CB
|
E:HIS141
|
3.6
|
13.7
|
1.0
|
CD1
|
E:LEU142
|
4.1
|
15.3
|
1.0
|
N
|
E:LEU142
|
4.2
|
13.7
|
1.0
|
CG
|
E:LEU142
|
4.3
|
17.4
|
1.0
|
NE2
|
E:HIS141
|
4.4
|
13.3
|
1.0
|
CD2
|
E:HIS141
|
4.4
|
15.8
|
1.0
|
CB
|
E:LEU142
|
4.4
|
16.5
|
1.0
|
O
|
E:PRO159
|
4.5
|
25.5
|
1.0
|
SG
|
E:CYS158
|
4.5
|
17.0
|
1.0
|
SG
|
E:CYS144
|
4.6
|
24.4
|
1.0
|
SG
|
E:CYS139
|
4.7
|
7.5
|
1.0
|
CA
|
E:HIS141
|
4.9
|
12.7
|
1.0
|
N
|
E:GLY162
|
4.9
|
37.1
|
1.0
|
CB
|
E:HIS161
|
4.9
|
34.5
|
1.0
|
C
|
E:HIS141
|
4.9
|
12.5
|
1.0
|
CA
|
E:LEU142
|
5.0
|
16.4
|
1.0
|
CB
|
E:CYS144
|
5.0
|
20.6
|
1.0
|
|
Reference:
X.Gao,
X.Wen,
C.A.Yu,
L.Esser,
S.Tsao,
B.Quinn,
L.Zhang,
L.Yu,
D.Xia.
The Crystal Structure of Mitochondrial Cytochrome BC1 in Complex with Famoxadone: the Role of Aromatic-Aromatic Interaction in Inhibition Biochemistry V. 41 11692 2003.
ISSN: ISSN 0006-2960
PubMed: 12269811
DOI: 10.1021/BI026252P
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