Iron in PDB 6nhh: Rhodobacter Sphaeroides BC1 with Azoxystrobin
Enzymatic activity of Rhodobacter Sphaeroides BC1 with Azoxystrobin
All present enzymatic activity of Rhodobacter Sphaeroides BC1 with Azoxystrobin:
1.10.2.2;
Protein crystallography data
The structure of Rhodobacter Sphaeroides BC1 with Azoxystrobin, PDB code: 6nhh
was solved by
D.Xia,
F.Zhou,
C.A.Yu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.29 /
3.00
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
89.309,
154.655,
100.939,
90.00,
95.36,
90.00
|
R / Rfree (%)
|
26.4 /
28.2
|
Other elements in 6nhh:
The structure of Rhodobacter Sphaeroides BC1 with Azoxystrobin also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Rhodobacter Sphaeroides BC1 with Azoxystrobin
(pdb code 6nhh). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the
Rhodobacter Sphaeroides BC1 with Azoxystrobin, PDB code: 6nhh:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 10 in 6nhh
Go back to
Iron Binding Sites List in 6nhh
Iron binding site 1 out
of 10 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1001
b:47.8
occ:1.00
|
FE
|
A:HEM1001
|
0.0
|
47.8
|
1.0
|
NE2
|
A:HIS198
|
2.0
|
37.6
|
1.0
|
NE2
|
A:HIS97
|
2.0
|
37.6
|
1.0
|
ND
|
A:HEM1001
|
2.0
|
52.6
|
1.0
|
NC
|
A:HEM1001
|
2.0
|
51.9
|
1.0
|
NA
|
A:HEM1001
|
2.1
|
52.9
|
1.0
|
NB
|
A:HEM1001
|
2.1
|
53.1
|
1.0
|
CE1
|
A:HIS97
|
2.9
|
34.9
|
1.0
|
CE1
|
A:HIS198
|
3.0
|
35.1
|
1.0
|
C1C
|
A:HEM1001
|
3.0
|
52.8
|
1.0
|
CD2
|
A:HIS198
|
3.0
|
34.9
|
1.0
|
C1D
|
A:HEM1001
|
3.0
|
52.4
|
1.0
|
HE1
|
A:HIS97
|
3.0
|
41.5
|
1.0
|
C4D
|
A:HEM1001
|
3.1
|
53.0
|
1.0
|
C1A
|
A:HEM1001
|
3.1
|
53.5
|
1.0
|
C4C
|
A:HEM1001
|
3.1
|
52.3
|
1.0
|
C4A
|
A:HEM1001
|
3.1
|
52.9
|
1.0
|
C4B
|
A:HEM1001
|
3.1
|
52.9
|
1.0
|
C1B
|
A:HEM1001
|
3.1
|
53.4
|
1.0
|
CD2
|
A:HIS97
|
3.1
|
35.1
|
1.0
|
HE1
|
A:HIS198
|
3.1
|
41.8
|
1.0
|
HD2
|
A:HIS198
|
3.2
|
41.5
|
1.0
|
HD2
|
A:HIS97
|
3.3
|
41.8
|
1.0
|
CHC
|
A:HEM1001
|
3.4
|
53.0
|
1.0
|
CHD
|
A:HEM1001
|
3.4
|
52.7
|
1.0
|
CHA
|
A:HEM1001
|
3.4
|
53.2
|
1.0
|
CHB
|
A:HEM1001
|
3.4
|
53.5
|
1.0
|
ND1
|
A:HIS97
|
4.1
|
35.0
|
1.0
|
ND1
|
A:HIS198
|
4.1
|
35.1
|
1.0
|
HA3
|
A:GLY146
|
4.1
|
42.3
|
1.0
|
CG
|
A:HIS198
|
4.2
|
35.0
|
1.0
|
CG
|
A:HIS97
|
4.2
|
35.1
|
1.0
|
C2C
|
A:HEM1001
|
4.3
|
52.3
|
1.0
|
C2D
|
A:HEM1001
|
4.3
|
52.4
|
1.0
|
C3D
|
A:HEM1001
|
4.3
|
52.5
|
1.0
|
C3C
|
A:HEM1001
|
4.3
|
51.9
|
1.0
|
C2A
|
A:HEM1001
|
4.3
|
53.4
|
1.0
|
C3A
|
A:HEM1001
|
4.3
|
53.2
|
1.0
|
C2B
|
A:HEM1001
|
4.3
|
52.6
|
1.0
|
C3B
|
A:HEM1001
|
4.3
|
52.5
|
1.0
|
HHC
|
A:HEM1001
|
4.4
|
63.6
|
1.0
|
HHD
|
A:HEM1001
|
4.4
|
63.3
|
1.0
|
HHA
|
A:HEM1001
|
4.4
|
63.9
|
1.0
|
HHB
|
A:HEM1001
|
4.4
|
64.2
|
1.0
|
HD12
|
A:LEU149
|
4.5
|
41.8
|
1.0
|
HE21
|
A:GLN58
|
4.6
|
41.9
|
1.0
|
HA2
|
A:GLY146
|
4.6
|
42.3
|
1.0
|
HA2
|
A:GLY62
|
4.6
|
41.0
|
1.0
|
HA3
|
A:GLY62
|
4.8
|
41.0
|
1.0
|
CA
|
A:GLY146
|
4.8
|
35.5
|
1.0
|
HE22
|
A:GLN58
|
4.9
|
41.9
|
1.0
|
|
Iron binding site 2 out
of 10 in 6nhh
Go back to
Iron Binding Sites List in 6nhh
Iron binding site 2 out
of 10 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1002
b:49.1
occ:1.00
|
FE
|
A:HEM1002
|
0.0
|
49.1
|
1.0
|
ND
|
A:HEM1002
|
2.0
|
54.4
|
1.0
|
NE2
|
A:HIS212
|
2.0
|
40.9
|
1.0
|
NA
|
A:HEM1002
|
2.0
|
54.1
|
1.0
|
NE2
|
A:HIS111
|
2.0
|
40.4
|
1.0
|
NC
|
A:HEM1002
|
2.1
|
53.5
|
1.0
|
NB
|
A:HEM1002
|
2.1
|
54.3
|
1.0
|
CE1
|
A:HIS212
|
2.9
|
36.6
|
1.0
|
C4D
|
A:HEM1002
|
3.0
|
54.3
|
1.0
|
C1D
|
A:HEM1002
|
3.0
|
54.8
|
1.0
|
CD2
|
A:HIS111
|
3.0
|
36.8
|
1.0
|
C1A
|
A:HEM1002
|
3.0
|
54.8
|
1.0
|
CE1
|
A:HIS111
|
3.0
|
36.3
|
1.0
|
C4C
|
A:HEM1002
|
3.1
|
54.2
|
1.0
|
CD2
|
A:HIS212
|
3.1
|
37.0
|
1.0
|
C4A
|
A:HEM1002
|
3.1
|
53.6
|
1.0
|
HE1
|
A:HIS212
|
3.1
|
44.0
|
1.0
|
C1C
|
A:HEM1002
|
3.1
|
54.2
|
1.0
|
C1B
|
A:HEM1002
|
3.1
|
54.4
|
1.0
|
C4B
|
A:HEM1002
|
3.2
|
53.6
|
1.0
|
HD2
|
A:HIS111
|
3.2
|
44.2
|
1.0
|
HE1
|
A:HIS111
|
3.2
|
43.3
|
1.0
|
HD2
|
A:HIS212
|
3.3
|
44.4
|
1.0
|
CHA
|
A:HEM1002
|
3.4
|
54.5
|
1.0
|
CHD
|
A:HEM1002
|
3.4
|
54.8
|
1.0
|
CHB
|
A:HEM1002
|
3.5
|
53.5
|
1.0
|
CHC
|
A:HEM1002
|
3.5
|
53.9
|
1.0
|
ND1
|
A:HIS212
|
4.1
|
37.1
|
1.0
|
ND1
|
A:HIS111
|
4.1
|
36.8
|
1.0
|
CG
|
A:HIS212
|
4.2
|
36.9
|
1.0
|
CG
|
A:HIS111
|
4.2
|
36.8
|
1.0
|
C3D
|
A:HEM1002
|
4.2
|
54.4
|
1.0
|
C2D
|
A:HEM1002
|
4.2
|
54.7
|
1.0
|
C2A
|
A:HEM1002
|
4.3
|
54.0
|
1.0
|
C3A
|
A:HEM1002
|
4.3
|
54.2
|
1.0
|
C3C
|
A:HEM1002
|
4.3
|
54.3
|
1.0
|
C2C
|
A:HEM1002
|
4.3
|
54.5
|
1.0
|
HHA
|
A:HEM1002
|
4.3
|
65.4
|
1.0
|
HHD
|
A:HEM1002
|
4.3
|
65.8
|
1.0
|
C2B
|
A:HEM1002
|
4.4
|
53.7
|
1.0
|
C3B
|
A:HEM1002
|
4.4
|
52.9
|
1.0
|
HD12
|
A:LEU51
|
4.4
|
43.2
|
1.0
|
HHB
|
A:HEM1002
|
4.4
|
64.3
|
1.0
|
HHC
|
A:HEM1002
|
4.5
|
64.7
|
1.0
|
HH22
|
A:ARG114
|
4.7
|
51.7
|
1.0
|
HA2
|
A:GLY48
|
4.7
|
44.3
|
1.0
|
HD13
|
A:LEU51
|
4.9
|
43.2
|
1.0
|
|
Iron binding site 3 out
of 10 in 6nhh
Go back to
Iron Binding Sites List in 6nhh
Iron binding site 3 out
of 10 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe302
b:43.4
occ:1.00
|
FE
|
B:HEC302
|
0.0
|
43.4
|
1.0
|
NE2
|
B:HIS40
|
2.0
|
57.4
|
1.0
|
NB
|
B:HEC302
|
2.0
|
47.2
|
1.0
|
NC
|
B:HEC302
|
2.0
|
48.4
|
1.0
|
NA
|
B:HEC302
|
2.1
|
48.5
|
1.0
|
ND
|
B:HEC302
|
2.1
|
48.0
|
1.0
|
SD
|
B:MET185
|
2.1
|
55.8
|
1.0
|
CD2
|
B:HIS40
|
2.9
|
52.2
|
1.0
|
CE1
|
B:HIS40
|
3.0
|
52.2
|
1.0
|
HD2
|
B:HIS40
|
3.0
|
62.3
|
1.0
|
C4B
|
B:HEC302
|
3.0
|
48.2
|
1.0
|
C1C
|
B:HEC302
|
3.1
|
48.8
|
1.0
|
C1B
|
B:HEC302
|
3.1
|
47.7
|
1.0
|
C4A
|
B:HEC302
|
3.1
|
48.4
|
1.0
|
C1A
|
B:HEC302
|
3.1
|
48.5
|
1.0
|
C4C
|
B:HEC302
|
3.1
|
48.0
|
1.0
|
C4D
|
B:HEC302
|
3.1
|
48.1
|
1.0
|
C1D
|
B:HEC302
|
3.1
|
47.9
|
1.0
|
HE1
|
B:HIS40
|
3.3
|
62.3
|
1.0
|
CHC
|
B:HEC302
|
3.4
|
49.0
|
1.0
|
CE
|
B:MET185
|
3.4
|
45.4
|
1.0
|
CHB
|
B:HEC302
|
3.4
|
48.3
|
1.0
|
CHD
|
B:HEC302
|
3.4
|
47.8
|
1.0
|
CHA
|
B:HEC302
|
3.4
|
48.8
|
1.0
|
HE1
|
B:MET185
|
3.5
|
54.2
|
1.0
|
CG
|
B:MET185
|
3.5
|
45.7
|
1.0
|
HG3
|
B:MET185
|
3.6
|
54.5
|
1.0
|
HE2
|
B:MET185
|
3.6
|
54.2
|
1.0
|
HB2
|
B:MET185
|
3.8
|
54.5
|
1.0
|
CG
|
B:HIS40
|
4.0
|
51.7
|
1.0
|
ND1
|
B:HIS40
|
4.1
|
51.7
|
1.0
|
HE3
|
B:MET185
|
4.2
|
54.2
|
1.0
|
CB
|
B:MET185
|
4.2
|
45.7
|
1.0
|
C3B
|
B:HEC302
|
4.3
|
48.4
|
1.0
|
HG2
|
B:MET185
|
4.3
|
54.5
|
1.0
|
C3A
|
B:HEC302
|
4.3
|
48.1
|
1.0
|
C2B
|
B:HEC302
|
4.3
|
48.3
|
1.0
|
C2A
|
B:HEC302
|
4.3
|
47.9
|
1.0
|
C2C
|
B:HEC302
|
4.3
|
48.1
|
1.0
|
C3C
|
B:HEC302
|
4.3
|
48.2
|
1.0
|
C3D
|
B:HEC302
|
4.3
|
47.9
|
1.0
|
C2D
|
B:HEC302
|
4.3
|
48.0
|
1.0
|
HHC
|
B:HEC302
|
4.4
|
58.8
|
1.0
|
HHB
|
B:HEC302
|
4.4
|
58.0
|
1.0
|
HHD
|
B:HEC302
|
4.4
|
57.4
|
1.0
|
HHA
|
B:HEC302
|
4.4
|
58.6
|
1.0
|
HB3
|
B:MET185
|
4.7
|
54.5
|
1.0
|
HD21
|
B:LEU100
|
4.7
|
74.7
|
1.0
|
HB1
|
B:ALA97
|
4.8
|
78.7
|
1.0
|
HD2
|
B:PRO98
|
4.8
|
76.5
|
1.0
|
HD11
|
B:LEU100
|
4.8
|
75.7
|
1.0
|
HB2
|
B:CYS39
|
4.8
|
62.1
|
1.0
|
HG3
|
B:PRO188
|
4.9
|
62.0
|
1.0
|
|
Iron binding site 4 out
of 10 in 6nhh
Go back to
Iron Binding Sites List in 6nhh
Iron binding site 4 out
of 10 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe1001
b:0.8
occ:0.25
|
FE1
|
C:FES1001
|
0.0
|
0.8
|
0.3
|
S2
|
C:FES1001
|
2.2
|
0.1
|
0.3
|
S1
|
C:FES1001
|
2.2
|
0.5
|
0.3
|
SG
|
C:CYS129
|
2.3
|
0.7
|
0.3
|
SG
|
C:CYS149
|
2.3
|
0.3
|
0.3
|
HB3
|
C:CYS129
|
2.5
|
0.0
|
0.3
|
CB
|
C:CYS129
|
2.8
|
0.9
|
0.3
|
HB2
|
C:CYS134
|
2.9
|
0.3
|
0.3
|
HB3
|
C:HIS131
|
3.0
|
0.9
|
0.3
|
HB2
|
C:CYS129
|
3.0
|
0.0
|
0.3
|
FE2
|
C:FES1001
|
3.1
|
0.8
|
0.3
|
H
|
C:CYS134
|
3.5
|
0.3
|
0.3
|
HB2
|
C:CYS151
|
3.5
|
0.9
|
0.3
|
CB
|
C:CYS149
|
3.6
|
0.6
|
0.3
|
HB3
|
C:CYS149
|
3.7
|
0.8
|
0.3
|
HB2
|
C:CYS149
|
3.7
|
0.8
|
0.3
|
H
|
C:LEU132
|
3.7
|
0.4
|
0.3
|
CB
|
C:CYS134
|
3.8
|
0.2
|
0.3
|
CB
|
C:HIS131
|
3.9
|
0.7
|
0.3
|
HB2
|
C:HIS131
|
4.0
|
0.9
|
0.3
|
H
|
C:HIS131
|
4.1
|
0.6
|
0.3
|
HG
|
C:SER154
|
4.2
|
0.5
|
0.3
|
HB2
|
C:SER154
|
4.2
|
0.7
|
0.3
|
N
|
C:CYS134
|
4.2
|
0.7
|
0.3
|
CA
|
C:CYS129
|
4.2
|
0.0
|
0.3
|
H
|
C:GLY133
|
4.3
|
0.6
|
0.3
|
HB3
|
C:CYS134
|
4.4
|
0.3
|
0.3
|
OG
|
C:SER154
|
4.4
|
0.5
|
0.3
|
ND1
|
C:HIS131
|
4.5
|
0.8
|
0.3
|
CB
|
C:CYS151
|
4.5
|
0.5
|
0.3
|
N
|
C:LEU132
|
4.5
|
0.9
|
0.3
|
CA
|
C:CYS134
|
4.6
|
0.8
|
0.3
|
HH
|
C:TYR156
|
4.6
|
0.9
|
0.3
|
SG
|
C:CYS134
|
4.6
|
0.5
|
0.3
|
H
|
C:HIS152
|
4.6
|
0.6
|
0.3
|
H
|
C:CYS151
|
4.6
|
0.7
|
0.3
|
C
|
C:CYS129
|
4.7
|
0.0
|
0.3
|
CG
|
C:HIS131
|
4.7
|
0.6
|
0.3
|
HA
|
C:CYS129
|
4.7
|
0.7
|
0.3
|
N
|
C:HIS131
|
4.7
|
0.1
|
0.3
|
HB3
|
C:CYS151
|
4.8
|
0.9
|
0.3
|
O
|
C:CYS129
|
4.8
|
0.5
|
0.3
|
CA
|
C:HIS131
|
4.8
|
0.9
|
0.3
|
H
|
C:CYS129
|
4.8
|
0.1
|
0.3
|
HG3
|
C:PRO136
|
4.8
|
0.6
|
0.3
|
CB
|
C:SER154
|
4.8
|
0.8
|
0.3
|
HB2
|
C:HIS152
|
4.8
|
0.8
|
0.3
|
N
|
C:GLY133
|
4.9
|
0.9
|
0.3
|
O
|
C:CYS134
|
4.9
|
0.1
|
0.3
|
HB2
|
C:LEU132
|
4.9
|
0.3
|
0.3
|
CA
|
C:CYS149
|
4.9
|
0.8
|
0.3
|
C
|
C:CYS134
|
5.0
|
0.7
|
0.3
|
|
Iron binding site 5 out
of 10 in 6nhh
Go back to
Iron Binding Sites List in 6nhh
Iron binding site 5 out
of 10 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe1001
b:0.8
occ:0.25
|
FE2
|
C:FES1001
|
0.0
|
0.8
|
0.3
|
ND1
|
C:HIS131
|
2.1
|
0.8
|
0.3
|
ND1
|
C:HIS152
|
2.1
|
0.2
|
0.3
|
S2
|
C:FES1001
|
2.2
|
0.1
|
0.3
|
S1
|
C:FES1001
|
2.2
|
0.5
|
0.3
|
HB2
|
C:HIS152
|
2.6
|
0.8
|
0.3
|
HB3
|
C:HIS131
|
3.0
|
0.9
|
0.3
|
CE1
|
C:HIS131
|
3.0
|
0.4
|
0.3
|
CG
|
C:HIS152
|
3.0
|
0.4
|
0.3
|
FE1
|
C:FES1001
|
3.1
|
0.8
|
0.3
|
CG
|
C:HIS131
|
3.2
|
0.6
|
0.3
|
HE1
|
C:HIS131
|
3.2
|
0.6
|
0.3
|
CE1
|
C:HIS152
|
3.2
|
0.1
|
0.3
|
CB
|
C:HIS152
|
3.3
|
0.1
|
0.3
|
HB2
|
C:CYS151
|
3.3
|
0.9
|
0.3
|
HE1
|
C:HIS152
|
3.4
|
0.2
|
0.3
|
CB
|
C:HIS131
|
3.5
|
0.7
|
0.3
|
HB3
|
C:CYS151
|
3.6
|
0.9
|
0.3
|
H
|
C:HIS152
|
3.7
|
0.6
|
0.3
|
N
|
C:HIS152
|
3.8
|
0.3
|
0.3
|
HB2
|
C:LEU132
|
3.9
|
0.3
|
0.3
|
CB
|
C:CYS151
|
3.9
|
0.5
|
0.3
|
HB2
|
C:HIS131
|
3.9
|
0.9
|
0.3
|
HB3
|
C:HIS152
|
4.0
|
0.8
|
0.3
|
HD12
|
C:LEU132
|
4.0
|
0.8
|
0.3
|
H
|
C:LEU132
|
4.1
|
0.4
|
0.3
|
CA
|
C:HIS152
|
4.2
|
0.5
|
0.3
|
NE2
|
C:HIS131
|
4.2
|
0.3
|
0.3
|
CD2
|
C:HIS152
|
4.2
|
0.7
|
0.3
|
NE2
|
C:HIS152
|
4.2
|
0.2
|
0.3
|
CD2
|
C:HIS131
|
4.2
|
0.5
|
0.3
|
HG
|
C:SER154
|
4.3
|
0.5
|
0.3
|
C
|
C:CYS151
|
4.3
|
0.7
|
0.3
|
HG
|
C:LEU132
|
4.4
|
0.8
|
0.3
|
SG
|
C:CYS149
|
4.4
|
0.3
|
0.3
|
HG2
|
C:PRO166
|
4.5
|
0.0
|
0.3
|
N
|
C:LEU132
|
4.6
|
0.9
|
0.3
|
HB2
|
C:PRO166
|
4.7
|
0.5
|
0.3
|
CA
|
C:CYS151
|
4.7
|
0.5
|
0.3
|
CB
|
C:LEU132
|
4.7
|
0.7
|
0.3
|
HB2
|
C:CYS134
|
4.8
|
0.3
|
0.3
|
OG
|
C:SER154
|
4.8
|
0.5
|
0.3
|
SG
|
C:CYS129
|
4.8
|
0.7
|
0.3
|
HD2
|
C:PRO166
|
4.8
|
0.5
|
0.3
|
CD1
|
C:LEU132
|
4.8
|
0.5
|
0.3
|
HA
|
C:HIS152
|
4.8
|
0.2
|
0.3
|
CA
|
C:HIS131
|
4.9
|
0.9
|
0.3
|
CG
|
C:LEU132
|
4.9
|
0.8
|
0.3
|
O
|
C:CYS151
|
4.9
|
0.0
|
0.3
|
|
Iron binding site 6 out
of 10 in 6nhh
Go back to
Iron Binding Sites List in 6nhh
Iron binding site 6 out
of 10 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe1001
b:46.9
occ:1.00
|
FE
|
E:HEM1001
|
0.0
|
46.9
|
1.0
|
NC
|
E:HEM1001
|
2.0
|
51.4
|
1.0
|
NE2
|
E:HIS198
|
2.0
|
24.9
|
1.0
|
NE2
|
E:HIS97
|
2.0
|
46.1
|
1.0
|
ND
|
E:HEM1001
|
2.0
|
51.7
|
1.0
|
NB
|
E:HEM1001
|
2.0
|
51.7
|
1.0
|
NA
|
E:HEM1001
|
2.1
|
51.4
|
1.0
|
CE1
|
E:HIS97
|
2.9
|
37.2
|
1.0
|
CE1
|
E:HIS198
|
3.0
|
16.1
|
1.0
|
C4C
|
E:HEM1001
|
3.0
|
52.6
|
1.0
|
HE1
|
E:HIS97
|
3.0
|
44.6
|
1.0
|
CD2
|
E:HIS198
|
3.0
|
16.4
|
1.0
|
C1C
|
E:HEM1001
|
3.0
|
52.0
|
1.0
|
C1D
|
E:HEM1001
|
3.0
|
52.3
|
1.0
|
C4B
|
E:HEM1001
|
3.0
|
52.2
|
1.0
|
C1B
|
E:HEM1001
|
3.1
|
51.7
|
1.0
|
C4D
|
E:HEM1001
|
3.1
|
52.3
|
1.0
|
C4A
|
E:HEM1001
|
3.1
|
51.4
|
1.0
|
C1A
|
E:HEM1001
|
3.1
|
51.7
|
1.0
|
CD2
|
E:HIS97
|
3.1
|
37.5
|
1.0
|
HE1
|
E:HIS198
|
3.1
|
19.0
|
1.0
|
HD2
|
E:HIS198
|
3.2
|
19.4
|
1.0
|
CHD
|
E:HEM1001
|
3.4
|
53.0
|
1.0
|
HD2
|
E:HIS97
|
3.4
|
44.8
|
1.0
|
CHC
|
E:HEM1001
|
3.4
|
52.9
|
1.0
|
CHB
|
E:HEM1001
|
3.5
|
51.8
|
1.0
|
CHA
|
E:HEM1001
|
3.5
|
52.1
|
1.0
|
ND1
|
E:HIS97
|
4.1
|
37.4
|
1.0
|
ND1
|
E:HIS198
|
4.1
|
16.2
|
1.0
|
CG
|
E:HIS198
|
4.1
|
16.7
|
1.0
|
HA3
|
E:GLY146
|
4.2
|
25.4
|
1.0
|
CG
|
E:HIS97
|
4.2
|
37.9
|
1.0
|
C3C
|
E:HEM1001
|
4.2
|
52.3
|
1.0
|
C2C
|
E:HEM1001
|
4.2
|
51.7
|
1.0
|
C2D
|
E:HEM1001
|
4.3
|
52.5
|
1.0
|
C3B
|
E:HEM1001
|
4.3
|
51.1
|
1.0
|
C2B
|
E:HEM1001
|
4.3
|
51.1
|
1.0
|
C3D
|
E:HEM1001
|
4.3
|
52.0
|
1.0
|
C2A
|
E:HEM1001
|
4.3
|
51.9
|
1.0
|
C3A
|
E:HEM1001
|
4.3
|
51.6
|
1.0
|
HHD
|
E:HEM1001
|
4.4
|
63.7
|
1.0
|
HHC
|
E:HEM1001
|
4.4
|
63.6
|
1.0
|
HHB
|
E:HEM1001
|
4.4
|
62.2
|
1.0
|
HHA
|
E:HEM1001
|
4.5
|
62.6
|
1.0
|
HA2
|
E:GLY62
|
4.6
|
44.0
|
1.0
|
HD12
|
E:LEU149
|
4.6
|
24.5
|
1.0
|
HA2
|
E:GLY146
|
4.6
|
25.4
|
1.0
|
HE21
|
E:GLN58
|
4.6
|
44.7
|
1.0
|
HA3
|
E:GLY62
|
4.7
|
44.0
|
1.0
|
CA
|
E:GLY146
|
4.9
|
21.1
|
1.0
|
HE22
|
E:GLN58
|
5.0
|
44.7
|
1.0
|
|
Iron binding site 7 out
of 10 in 6nhh
Go back to
Iron Binding Sites List in 6nhh
Iron binding site 7 out
of 10 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe1002
b:48.9
occ:1.00
|
FE
|
E:HEM1002
|
0.0
|
48.9
|
1.0
|
ND
|
E:HEM1002
|
2.0
|
54.5
|
1.0
|
NE2
|
E:HIS212
|
2.0
|
38.0
|
1.0
|
NA
|
E:HEM1002
|
2.1
|
54.4
|
1.0
|
NC
|
E:HEM1002
|
2.1
|
53.2
|
1.0
|
NB
|
E:HEM1002
|
2.1
|
53.4
|
1.0
|
NE2
|
E:HIS111
|
2.1
|
47.6
|
1.0
|
CE1
|
E:HIS212
|
2.9
|
32.4
|
1.0
|
C4D
|
E:HEM1002
|
3.0
|
54.4
|
1.0
|
C1D
|
E:HEM1002
|
3.0
|
54.9
|
1.0
|
CD2
|
E:HIS212
|
3.0
|
33.1
|
1.0
|
C4C
|
E:HEM1002
|
3.0
|
53.5
|
1.0
|
C1A
|
E:HEM1002
|
3.1
|
54.7
|
1.0
|
CE1
|
E:HIS111
|
3.1
|
40.4
|
1.0
|
CD2
|
E:HIS111
|
3.1
|
41.1
|
1.0
|
C4A
|
E:HEM1002
|
3.1
|
54.1
|
1.0
|
HE1
|
E:HIS212
|
3.1
|
38.9
|
1.0
|
C1C
|
E:HEM1002
|
3.1
|
53.4
|
1.0
|
C1B
|
E:HEM1002
|
3.1
|
53.6
|
1.0
|
C4B
|
E:HEM1002
|
3.1
|
53.4
|
1.0
|
HD2
|
E:HIS212
|
3.2
|
39.8
|
1.0
|
HD2
|
E:HIS111
|
3.3
|
49.4
|
1.0
|
HE1
|
E:HIS111
|
3.3
|
48.5
|
1.0
|
CHD
|
E:HEM1002
|
3.4
|
54.5
|
1.0
|
CHA
|
E:HEM1002
|
3.4
|
54.8
|
1.0
|
CHB
|
E:HEM1002
|
3.5
|
54.1
|
1.0
|
CHC
|
E:HEM1002
|
3.5
|
53.4
|
1.0
|
ND1
|
E:HIS212
|
4.1
|
33.2
|
1.0
|
CG
|
E:HIS212
|
4.1
|
33.5
|
1.0
|
C3D
|
E:HEM1002
|
4.2
|
53.8
|
1.0
|
ND1
|
E:HIS111
|
4.2
|
41.1
|
1.0
|
C2D
|
E:HEM1002
|
4.2
|
54.3
|
1.0
|
CG
|
E:HIS111
|
4.2
|
41.6
|
1.0
|
C3C
|
E:HEM1002
|
4.3
|
53.3
|
1.0
|
C2A
|
E:HEM1002
|
4.3
|
54.1
|
1.0
|
C2C
|
E:HEM1002
|
4.3
|
52.9
|
1.0
|
C3A
|
E:HEM1002
|
4.3
|
54.1
|
1.0
|
HHD
|
E:HEM1002
|
4.3
|
65.4
|
1.0
|
C3B
|
E:HEM1002
|
4.3
|
52.9
|
1.0
|
C2B
|
E:HEM1002
|
4.3
|
52.9
|
1.0
|
HHA
|
E:HEM1002
|
4.4
|
65.8
|
1.0
|
HHB
|
E:HEM1002
|
4.4
|
65.0
|
1.0
|
HHC
|
E:HEM1002
|
4.5
|
64.1
|
1.0
|
HD12
|
E:LEU51
|
4.5
|
46.1
|
1.0
|
HH22
|
E:ARG114
|
4.7
|
59.2
|
1.0
|
HA2
|
E:GLY48
|
4.8
|
47.8
|
1.0
|
|
Iron binding site 8 out
of 10 in 6nhh
Go back to
Iron Binding Sites List in 6nhh
Iron binding site 8 out
of 10 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe302
b:43.4
occ:1.00
|
FE
|
F:HEC302
|
0.0
|
43.4
|
1.0
|
NE2
|
F:HIS40
|
2.0
|
77.2
|
1.0
|
NA
|
F:HEC302
|
2.0
|
48.6
|
1.0
|
NB
|
F:HEC302
|
2.1
|
47.7
|
1.0
|
NC
|
F:HEC302
|
2.1
|
48.1
|
1.0
|
ND
|
F:HEC302
|
2.1
|
47.8
|
1.0
|
SD
|
F:MET185
|
2.2
|
79.3
|
1.0
|
CD2
|
F:HIS40
|
2.9
|
70.1
|
1.0
|
HD2
|
F:HIS40
|
3.0
|
84.2
|
1.0
|
CE1
|
F:HIS40
|
3.0
|
69.9
|
1.0
|
C1A
|
F:HEC302
|
3.1
|
48.7
|
1.0
|
C4B
|
F:HEC302
|
3.1
|
48.0
|
1.0
|
C4A
|
F:HEC302
|
3.1
|
48.5
|
1.0
|
C1C
|
F:HEC302
|
3.1
|
48.7
|
1.0
|
C1B
|
F:HEC302
|
3.1
|
48.2
|
1.0
|
C4C
|
F:HEC302
|
3.1
|
48.3
|
1.0
|
C4D
|
F:HEC302
|
3.1
|
48.1
|
1.0
|
C1D
|
F:HEC302
|
3.1
|
48.1
|
1.0
|
HE1
|
F:HIS40
|
3.3
|
84.0
|
1.0
|
CHC
|
F:HEC302
|
3.4
|
48.4
|
1.0
|
CHA
|
F:HEC302
|
3.4
|
48.4
|
1.0
|
CHB
|
F:HEC302
|
3.4
|
48.2
|
1.0
|
CHD
|
F:HEC302
|
3.5
|
48.2
|
1.0
|
CG
|
F:MET185
|
3.5
|
74.0
|
1.0
|
HG3
|
F:MET185
|
3.5
|
88.9
|
1.0
|
CE
|
F:MET185
|
3.5
|
73.1
|
1.0
|
HE1
|
F:MET185
|
3.6
|
87.8
|
1.0
|
HB2
|
F:MET185
|
3.7
|
90.5
|
1.0
|
HE2
|
F:MET185
|
3.8
|
87.8
|
1.0
|
CG
|
F:HIS40
|
4.0
|
68.5
|
1.0
|
ND1
|
F:HIS40
|
4.1
|
69.3
|
1.0
|
CB
|
F:MET185
|
4.2
|
75.3
|
1.0
|
HG2
|
F:MET185
|
4.2
|
88.9
|
1.0
|
HE3
|
F:MET185
|
4.3
|
87.8
|
1.0
|
C2A
|
F:HEC302
|
4.3
|
48.4
|
1.0
|
C3A
|
F:HEC302
|
4.3
|
48.4
|
1.0
|
C3B
|
F:HEC302
|
4.3
|
48.5
|
1.0
|
C2B
|
F:HEC302
|
4.3
|
48.6
|
1.0
|
C2C
|
F:HEC302
|
4.3
|
48.7
|
1.0
|
C3C
|
F:HEC302
|
4.3
|
48.2
|
1.0
|
C3D
|
F:HEC302
|
4.3
|
48.1
|
1.0
|
C2D
|
F:HEC302
|
4.3
|
48.2
|
1.0
|
HHC
|
F:HEC302
|
4.4
|
58.2
|
1.0
|
HHA
|
F:HEC302
|
4.4
|
58.2
|
1.0
|
HHB
|
F:HEC302
|
4.4
|
57.9
|
1.0
|
HHD
|
F:HEC302
|
4.4
|
57.9
|
1.0
|
HD11
|
F:LEU100
|
4.7
|
64.2
|
1.0
|
HB3
|
F:MET185
|
4.7
|
90.5
|
1.0
|
HD2
|
F:PRO98
|
4.9
|
64.4
|
1.0
|
HD21
|
F:LEU100
|
4.9
|
64.1
|
1.0
|
HG3
|
F:PRO188
|
4.9
|
97.2
|
1.0
|
HB2
|
F:CYS39
|
4.9
|
88.3
|
1.0
|
HB1
|
F:ALA97
|
5.0
|
67.7
|
1.0
|
|
Iron binding site 9 out
of 10 in 6nhh
Go back to
Iron Binding Sites List in 6nhh
Iron binding site 9 out
of 10 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe1001
b:0.8
occ:0.25
|
FE1
|
G:FES1001
|
0.0
|
0.8
|
0.3
|
S2
|
G:FES1001
|
2.2
|
0.1
|
0.3
|
S1
|
G:FES1001
|
2.2
|
0.7
|
0.3
|
SG
|
G:CYS129
|
2.3
|
0.9
|
0.3
|
SG
|
G:CYS149
|
2.3
|
0.2
|
0.3
|
HB3
|
G:CYS129
|
2.5
|
0.6
|
0.3
|
CB
|
G:CYS129
|
2.8
|
0.8
|
0.3
|
HB2
|
G:CYS134
|
2.9
|
0.2
|
0.3
|
HB3
|
G:HIS131
|
3.0
|
0.8
|
0.3
|
HB2
|
G:CYS129
|
3.0
|
0.6
|
0.3
|
FE2
|
G:FES1001
|
3.1
|
1.0
|
0.3
|
H
|
G:CYS134
|
3.5
|
0.9
|
0.3
|
HB2
|
G:CYS151
|
3.5
|
0.0
|
0.3
|
CB
|
G:CYS149
|
3.6
|
0.3
|
0.3
|
HB3
|
G:CYS149
|
3.7
|
0.0
|
0.3
|
HB2
|
G:CYS149
|
3.7
|
0.0
|
0.3
|
H
|
G:LEU132
|
3.8
|
0.4
|
0.3
|
CB
|
G:CYS134
|
3.8
|
0.2
|
0.3
|
CB
|
G:HIS131
|
3.9
|
0.1
|
0.3
|
HB2
|
G:HIS131
|
4.0
|
0.8
|
0.3
|
H
|
G:HIS131
|
4.1
|
0.5
|
0.3
|
HG
|
G:SER154
|
4.2
|
0.8
|
0.3
|
HB2
|
G:SER154
|
4.2
|
0.3
|
0.3
|
CA
|
G:CYS129
|
4.2
|
0.4
|
0.3
|
N
|
G:CYS134
|
4.3
|
0.3
|
0.3
|
H
|
G:GLY133
|
4.4
|
0.0
|
0.3
|
HB3
|
G:CYS134
|
4.4
|
0.2
|
0.3
|
OG
|
G:SER154
|
4.4
|
0.4
|
0.3
|
ND1
|
G:HIS131
|
4.5
|
0.7
|
0.3
|
CB
|
G:CYS151
|
4.5
|
0.1
|
0.3
|
HH
|
G:TYR156
|
4.5
|
0.2
|
0.3
|
CA
|
G:CYS134
|
4.6
|
0.5
|
0.3
|
N
|
G:LEU132
|
4.6
|
0.3
|
0.3
|
SG
|
G:CYS134
|
4.6
|
0.4
|
0.3
|
H
|
G:HIS152
|
4.6
|
0.5
|
0.3
|
H
|
G:CYS151
|
4.6
|
0.4
|
0.3
|
CG
|
G:HIS131
|
4.7
|
0.6
|
0.3
|
C
|
G:CYS129
|
4.7
|
0.4
|
0.3
|
HA
|
G:CYS129
|
4.7
|
0.9
|
0.3
|
N
|
G:HIS131
|
4.7
|
0.4
|
0.3
|
HB3
|
G:CYS151
|
4.8
|
0.0
|
0.3
|
CA
|
G:HIS131
|
4.8
|
0.7
|
0.3
|
O
|
G:CYS129
|
4.8
|
1.0
|
0.3
|
HB2
|
G:HIS152
|
4.8
|
0.3
|
0.3
|
H
|
G:CYS129
|
4.8
|
0.2
|
0.3
|
CB
|
G:SER154
|
4.9
|
1.0
|
0.3
|
HG3
|
G:PRO136
|
4.9
|
0.9
|
0.3
|
O
|
G:CYS134
|
4.9
|
0.1
|
0.3
|
CA
|
G:CYS149
|
4.9
|
0.5
|
0.3
|
N
|
G:GLY133
|
5.0
|
0.5
|
0.3
|
HB2
|
G:ALA167
|
5.0
|
0.7
|
0.3
|
C
|
G:CYS134
|
5.0
|
0.6
|
0.3
|
|
Iron binding site 10 out
of 10 in 6nhh
Go back to
Iron Binding Sites List in 6nhh
Iron binding site 10 out
of 10 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe1001
b:1.0
occ:0.25
|
FE2
|
G:FES1001
|
0.0
|
1.0
|
0.3
|
ND1
|
G:HIS131
|
2.1
|
0.7
|
0.3
|
ND1
|
G:HIS152
|
2.1
|
0.9
|
0.3
|
S2
|
G:FES1001
|
2.2
|
0.1
|
0.3
|
S1
|
G:FES1001
|
2.2
|
0.7
|
0.3
|
HB2
|
G:HIS152
|
2.5
|
0.3
|
0.3
|
CG
|
G:HIS152
|
3.0
|
0.8
|
0.3
|
HB3
|
G:HIS131
|
3.0
|
0.8
|
0.3
|
CE1
|
G:HIS131
|
3.0
|
0.0
|
0.3
|
FE1
|
G:FES1001
|
3.1
|
0.8
|
0.3
|
CG
|
G:HIS131
|
3.2
|
0.6
|
0.3
|
HE1
|
G:HIS131
|
3.2
|
0.5
|
0.3
|
CB
|
G:HIS152
|
3.2
|
0.3
|
0.3
|
CE1
|
G:HIS152
|
3.2
|
1.0
|
0.3
|
HB2
|
G:CYS151
|
3.3
|
0.0
|
0.3
|
HE1
|
G:HIS152
|
3.5
|
0.4
|
0.3
|
CB
|
G:HIS131
|
3.5
|
0.1
|
0.3
|
H
|
G:HIS152
|
3.6
|
0.5
|
0.3
|
HB3
|
G:CYS151
|
3.6
|
0.0
|
0.3
|
N
|
G:HIS152
|
3.7
|
0.9
|
0.3
|
HB2
|
G:HIS131
|
3.9
|
0.8
|
0.3
|
HB3
|
G:HIS152
|
3.9
|
0.3
|
0.3
|
CB
|
G:CYS151
|
3.9
|
0.1
|
0.3
|
CA
|
G:HIS152
|
4.1
|
0.7
|
0.3
|
HB2
|
G:LEU132
|
4.1
|
0.4
|
0.3
|
HG
|
G:SER154
|
4.2
|
0.8
|
0.3
|
CD2
|
G:HIS152
|
4.2
|
0.9
|
0.3
|
NE2
|
G:HIS131
|
4.2
|
0.9
|
0.3
|
H
|
G:LEU132
|
4.2
|
0.4
|
0.3
|
HD12
|
G:LEU132
|
4.2
|
1.0
|
0.3
|
NE2
|
G:HIS152
|
4.2
|
0.8
|
0.3
|
C
|
G:CYS151
|
4.2
|
0.5
|
0.3
|
CD2
|
G:HIS131
|
4.3
|
0.4
|
0.3
|
SG
|
G:CYS149
|
4.4
|
0.2
|
0.3
|
HG
|
G:LEU132
|
4.4
|
0.3
|
0.3
|
HG2
|
G:PRO166
|
4.4
|
0.2
|
0.3
|
HB2
|
G:PRO166
|
4.6
|
0.8
|
0.3
|
N
|
G:LEU132
|
4.7
|
0.3
|
0.3
|
CA
|
G:CYS151
|
4.7
|
0.7
|
0.3
|
OG
|
G:SER154
|
4.7
|
0.4
|
0.3
|
HD2
|
G:PRO166
|
4.7
|
0.8
|
0.3
|
HA
|
G:HIS152
|
4.8
|
0.7
|
0.3
|
SG
|
G:CYS129
|
4.8
|
0.9
|
0.3
|
HB2
|
G:CYS134
|
4.8
|
0.2
|
0.3
|
O
|
G:CYS151
|
4.9
|
0.7
|
0.3
|
CA
|
G:HIS131
|
4.9
|
0.7
|
0.3
|
CB
|
G:LEU132
|
4.9
|
0.1
|
0.3
|
C
|
G:HIS152
|
5.0
|
0.6
|
0.3
|
CG
|
G:LEU132
|
5.0
|
0.7
|
0.3
|
HD2
|
G:HIS152
|
5.0
|
0.0
|
0.3
|
H
|
G:CYS151
|
5.0
|
0.4
|
0.3
|
|
Reference:
L.Esser,
F.Zhou,
C.A.Yu,
D.Xia.
Crystal Structure of Bacterial CYTOCHROMEBC1IN Complex with Azoxystrobin Reveals A Conformational Switch of the Rieske Iron-Sulfur Protein Subunit. J.Biol.Chem. V. 294 12007 2019.
ISSN: ESSN 1083-351X
PubMed: 31182483
DOI: 10.1074/JBC.RA119.008381
Page generated: Wed Aug 7 03:27:51 2024
|