Iron in PDB 7rja: Complex III2 From Candida Albicans, Inhibitor Free
Enzymatic activity of Complex III2 From Candida Albicans, Inhibitor Free
All present enzymatic activity of Complex III2 From Candida Albicans, Inhibitor Free:
7.1.1.8;
Iron Binding Sites:
The binding sites of Iron atom in the Complex III2 From Candida Albicans, Inhibitor Free
(pdb code 7rja). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the
Complex III2 From Candida Albicans, Inhibitor Free, PDB code: 7rja:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 10 in 7rja
Go back to
Iron Binding Sites List in 7rja
Iron binding site 1 out
of 10 in the Complex III2 From Candida Albicans, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Complex III2 From Candida Albicans, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Fe401
b:74.2
occ:1.00
|
FE
|
K:HEM401
|
0.0
|
74.2
|
1.0
|
|
NE2
|
K:HIS82
|
1.8
|
72.8
|
1.0
|
|
NB
|
K:HEM401
|
2.0
|
74.2
|
1.0
|
|
NC
|
K:HEM401
|
2.0
|
74.2
|
1.0
|
|
NA
|
K:HEM401
|
2.0
|
74.2
|
1.0
|
|
ND
|
K:HEM401
|
2.0
|
74.2
|
1.0
|
|
HE1
|
K:HIS82
|
2.4
|
72.8
|
1.0
|
|
CE1
|
K:HIS82
|
2.4
|
72.8
|
1.0
|
|
NE2
|
K:HIS183
|
2.5
|
74.7
|
1.0
|
|
C4A
|
K:HEM401
|
3.0
|
74.2
|
1.0
|
|
C1B
|
K:HEM401
|
3.0
|
74.2
|
1.0
|
|
C4C
|
K:HEM401
|
3.0
|
74.2
|
1.0
|
|
C1C
|
K:HEM401
|
3.0
|
74.2
|
1.0
|
|
C1A
|
K:HEM401
|
3.0
|
74.2
|
1.0
|
|
C4B
|
K:HEM401
|
3.0
|
74.2
|
1.0
|
|
C1D
|
K:HEM401
|
3.1
|
74.2
|
1.0
|
|
CD2
|
K:HIS82
|
3.1
|
72.8
|
1.0
|
|
C4D
|
K:HEM401
|
3.1
|
74.2
|
1.0
|
|
CE1
|
K:HIS183
|
3.3
|
74.7
|
1.0
|
|
HE1
|
K:HIS183
|
3.4
|
74.7
|
1.0
|
|
CHB
|
K:HEM401
|
3.4
|
74.2
|
1.0
|
|
CHD
|
K:HEM401
|
3.4
|
74.2
|
1.0
|
|
CHC
|
K:HEM401
|
3.4
|
74.2
|
1.0
|
|
CHA
|
K:HEM401
|
3.4
|
74.2
|
1.0
|
|
CD2
|
K:HIS183
|
3.5
|
74.7
|
1.0
|
|
HD2
|
K:HIS82
|
3.5
|
72.8
|
1.0
|
|
OE1
|
K:GLN43
|
3.6
|
73.5
|
1.0
|
|
ND1
|
K:HIS82
|
3.6
|
72.8
|
1.0
|
|
HD2
|
K:HIS183
|
3.7
|
74.7
|
1.0
|
|
HE22
|
K:GLN43
|
3.9
|
73.5
|
1.0
|
|
CG
|
K:HIS82
|
3.9
|
72.8
|
1.0
|
|
HA3
|
K:GLY131
|
4.2
|
76.7
|
1.0
|
|
C3A
|
K:HEM401
|
4.2
|
74.2
|
1.0
|
|
C2A
|
K:HEM401
|
4.2
|
74.2
|
1.0
|
|
C3C
|
K:HEM401
|
4.2
|
74.2
|
1.0
|
|
C2C
|
K:HEM401
|
4.2
|
74.2
|
1.0
|
|
CD
|
K:GLN43
|
4.3
|
73.5
|
1.0
|
|
C2B
|
K:HEM401
|
4.3
|
74.2
|
1.0
|
|
C3B
|
K:HEM401
|
4.3
|
74.2
|
1.0
|
|
HHD
|
K:HEM401
|
4.3
|
74.2
|
1.0
|
|
HD1
|
K:HIS82
|
4.3
|
72.8
|
1.0
|
|
C2D
|
K:HEM401
|
4.3
|
74.2
|
1.0
|
|
C3D
|
K:HEM401
|
4.3
|
74.2
|
1.0
|
|
NE2
|
K:GLN43
|
4.3
|
73.5
|
1.0
|
|
HHB
|
K:HEM401
|
4.4
|
74.2
|
1.0
|
|
HHA
|
K:HEM401
|
4.4
|
74.2
|
1.0
|
|
HHC
|
K:HEM401
|
4.4
|
74.2
|
1.0
|
|
ND1
|
K:HIS183
|
4.5
|
74.7
|
1.0
|
|
CG
|
K:HIS183
|
4.6
|
74.7
|
1.0
|
|
HA3
|
K:GLY47
|
4.7
|
73.2
|
1.0
|
|
HA2
|
K:GLY47
|
4.8
|
73.2
|
1.0
|
|
HG22
|
K:ILE127
|
4.9
|
74.8
|
1.0
|
|
O
|
K:GLN43
|
4.9
|
73.5
|
1.0
|
|
HB3
|
K:GLN43
|
4.9
|
73.5
|
1.0
|
|
Iron binding site 2 out
of 10 in 7rja
Go back to
Iron Binding Sites List in 7rja
Iron binding site 2 out
of 10 in the Complex III2 From Candida Albicans, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Complex III2 From Candida Albicans, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Fe402
b:74.1
occ:1.00
|
FE
|
K:HEM402
|
0.0
|
74.1
|
1.0
|
|
ND
|
K:HEM402
|
2.0
|
74.1
|
1.0
|
|
NB
|
K:HEM402
|
2.0
|
74.1
|
1.0
|
|
NC
|
K:HEM402
|
2.1
|
74.1
|
1.0
|
|
NA
|
K:HEM402
|
2.1
|
74.1
|
1.0
|
|
NE2
|
K:HIS197
|
2.2
|
74.2
|
1.0
|
|
NE2
|
K:HIS96
|
2.3
|
72.7
|
1.0
|
|
C4D
|
K:HEM402
|
2.9
|
74.1
|
1.0
|
|
CD2
|
K:HIS197
|
2.9
|
74.2
|
1.0
|
|
C1D
|
K:HEM402
|
2.9
|
74.1
|
1.0
|
|
CD2
|
K:HIS96
|
3.0
|
72.7
|
1.0
|
|
C1B
|
K:HEM402
|
3.0
|
74.1
|
1.0
|
|
C4B
|
K:HEM402
|
3.0
|
74.1
|
1.0
|
|
HD2
|
K:HIS197
|
3.0
|
74.2
|
1.0
|
|
C4A
|
K:HEM402
|
3.1
|
74.1
|
1.0
|
|
C1C
|
K:HEM402
|
3.1
|
74.1
|
1.0
|
|
HD2
|
K:HIS96
|
3.1
|
72.7
|
1.0
|
|
C1A
|
K:HEM402
|
3.1
|
74.1
|
1.0
|
|
C4C
|
K:HEM402
|
3.1
|
74.1
|
1.0
|
|
CE1
|
K:HIS197
|
3.2
|
74.2
|
1.0
|
|
CE1
|
K:HIS96
|
3.3
|
72.7
|
1.0
|
|
CHB
|
K:HEM402
|
3.4
|
74.1
|
1.0
|
|
CHC
|
K:HEM402
|
3.4
|
74.1
|
1.0
|
|
CHA
|
K:HEM402
|
3.4
|
74.1
|
1.0
|
|
CHD
|
K:HEM402
|
3.4
|
74.1
|
1.0
|
|
HE1
|
K:HIS197
|
3.5
|
74.2
|
1.0
|
|
HE1
|
K:HIS96
|
3.6
|
72.7
|
1.0
|
|
C3D
|
K:HEM402
|
4.0
|
74.1
|
1.0
|
|
CG
|
K:HIS197
|
4.1
|
74.2
|
1.0
|
|
C2D
|
K:HEM402
|
4.1
|
74.1
|
1.0
|
|
CG
|
K:HIS96
|
4.1
|
72.7
|
1.0
|
|
ND1
|
K:HIS197
|
4.1
|
74.2
|
1.0
|
|
C3B
|
K:HEM402
|
4.2
|
74.1
|
1.0
|
|
C2B
|
K:HEM402
|
4.2
|
74.1
|
1.0
|
|
HHB
|
K:HEM402
|
4.3
|
74.1
|
1.0
|
|
C3A
|
K:HEM402
|
4.3
|
74.1
|
1.0
|
|
C2A
|
K:HEM402
|
4.3
|
74.1
|
1.0
|
|
ND1
|
K:HIS96
|
4.3
|
72.7
|
1.0
|
|
C2C
|
K:HEM402
|
4.3
|
74.1
|
1.0
|
|
C3C
|
K:HEM402
|
4.3
|
74.1
|
1.0
|
|
HHD
|
K:HEM402
|
4.3
|
74.1
|
1.0
|
|
HHA
|
K:HEM402
|
4.4
|
74.1
|
1.0
|
|
HHC
|
K:HEM402
|
4.4
|
74.1
|
1.0
|
|
HD13
|
K:LEU36
|
4.5
|
74.1
|
1.0
|
|
HD12
|
K:LEU36
|
4.5
|
74.1
|
1.0
|
|
HA2
|
K:GLY33
|
4.5
|
74.7
|
1.0
|
|
HA3
|
K:GLY33
|
4.8
|
74.7
|
1.0
|
|
HD12
|
K:LEU113
|
4.9
|
75.5
|
1.0
|
|
HD1
|
K:HIS197
|
4.9
|
74.2
|
1.0
|
|
CD1
|
K:LEU36
|
4.9
|
74.1
|
1.0
|
|
Iron binding site 3 out
of 10 in 7rja
Go back to
Iron Binding Sites List in 7rja
Iron binding site 3 out
of 10 in the Complex III2 From Candida Albicans, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Complex III2 From Candida Albicans, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe301
b:110.2
occ:1.00
|
FE
|
D:HEC301
|
0.0
|
110.2
|
1.0
|
|
NE2
|
D:HIS86
|
2.0
|
88.5
|
1.0
|
|
NA
|
D:HEC301
|
2.0
|
110.2
|
1.0
|
|
ND
|
D:HEC301
|
2.0
|
110.2
|
1.0
|
|
NC
|
D:HEC301
|
2.1
|
110.2
|
1.0
|
|
NB
|
D:HEC301
|
2.1
|
110.2
|
1.0
|
|
CD2
|
D:HIS86
|
2.8
|
88.5
|
1.0
|
|
HD2
|
D:HIS86
|
2.9
|
88.5
|
1.0
|
|
HG3
|
D:MET206
|
2.9
|
92.8
|
1.0
|
|
C4A
|
D:HEC301
|
3.0
|
110.2
|
1.0
|
|
C1A
|
D:HEC301
|
3.0
|
110.2
|
1.0
|
|
C1C
|
D:HEC301
|
3.0
|
110.2
|
1.0
|
|
C4D
|
D:HEC301
|
3.0
|
110.2
|
1.0
|
|
C1D
|
D:HEC301
|
3.0
|
110.2
|
1.0
|
|
C4C
|
D:HEC301
|
3.0
|
110.2
|
1.0
|
|
C1B
|
D:HEC301
|
3.1
|
110.2
|
1.0
|
|
C4B
|
D:HEC301
|
3.1
|
110.2
|
1.0
|
|
CE1
|
D:HIS86
|
3.1
|
88.5
|
1.0
|
|
SD
|
D:MET206
|
3.2
|
92.8
|
1.0
|
|
CHA
|
D:HEC301
|
3.4
|
110.2
|
1.0
|
|
CHD
|
D:HEC301
|
3.4
|
110.2
|
1.0
|
|
HE1
|
D:HIS86
|
3.4
|
88.5
|
1.0
|
|
CHB
|
D:HEC301
|
3.4
|
110.2
|
1.0
|
|
CHC
|
D:HEC301
|
3.4
|
110.2
|
1.0
|
|
CG
|
D:MET206
|
3.5
|
92.8
|
1.0
|
|
HB3
|
D:PRO155
|
3.8
|
90.2
|
1.0
|
|
CG
|
D:HIS86
|
4.0
|
88.5
|
1.0
|
|
HG2
|
D:MET206
|
4.1
|
92.8
|
1.0
|
|
ND1
|
D:HIS86
|
4.1
|
88.5
|
1.0
|
|
C3A
|
D:HEC301
|
4.2
|
110.2
|
1.0
|
|
C2A
|
D:HEC301
|
4.2
|
110.2
|
1.0
|
|
C2C
|
D:HEC301
|
4.2
|
110.2
|
1.0
|
|
C3C
|
D:HEC301
|
4.2
|
110.2
|
1.0
|
|
C3D
|
D:HEC301
|
4.2
|
110.2
|
1.0
|
|
C2D
|
D:HEC301
|
4.2
|
110.2
|
1.0
|
|
HHA
|
D:HEC301
|
4.2
|
110.2
|
1.0
|
|
C2B
|
D:HEC301
|
4.3
|
110.2
|
1.0
|
|
C3B
|
D:HEC301
|
4.3
|
110.2
|
1.0
|
|
HB2
|
D:PRO155
|
4.3
|
90.2
|
1.0
|
|
HHD
|
D:HEC301
|
4.4
|
110.2
|
1.0
|
|
HB2
|
D:CYS85
|
4.4
|
90.6
|
1.0
|
|
HHC
|
D:HEC301
|
4.4
|
110.2
|
1.0
|
|
HHB
|
D:HEC301
|
4.4
|
110.2
|
1.0
|
|
CB
|
D:PRO155
|
4.5
|
90.2
|
1.0
|
|
HB2
|
D:MET206
|
4.5
|
92.8
|
1.0
|
|
HD2
|
D:PRO156
|
4.6
|
87.3
|
1.0
|
|
CB
|
D:MET206
|
4.6
|
92.8
|
1.0
|
|
HA
|
D:PRO155
|
4.6
|
90.2
|
1.0
|
|
HA
|
D:MET206
|
4.8
|
92.8
|
1.0
|
|
HD21
|
D:LEU158
|
4.8
|
86.4
|
1.0
|
|
CE
|
D:MET206
|
4.9
|
92.8
|
1.0
|
|
HD1
|
D:HIS86
|
4.9
|
88.5
|
1.0
|
|
HB3
|
D:CYS85
|
5.0
|
90.6
|
1.0
|
|
Iron binding site 4 out
of 10 in 7rja
Go back to
Iron Binding Sites List in 7rja
Iron binding site 4 out
of 10 in the Complex III2 From Candida Albicans, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Complex III2 From Candida Albicans, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe301
b:40.6
occ:1.00
|
FE1
|
C:FES301
|
0.0
|
40.6
|
1.0
|
|
S1
|
C:FES301
|
2.2
|
35.9
|
1.0
|
|
S2
|
C:FES301
|
2.3
|
37.4
|
1.0
|
|
O
|
C:HIS158
|
2.9
|
122.6
|
1.0
|
|
H
|
C:HIS158
|
3.1
|
122.6
|
1.0
|
|
FE2
|
C:FES301
|
3.2
|
37.6
|
1.0
|
|
CB
|
C:CYS156
|
3.5
|
118.5
|
1.0
|
|
CB
|
C:CYS175
|
3.6
|
145.1
|
1.0
|
|
H
|
C:THR157
|
3.7
|
121.7
|
1.0
|
|
N
|
C:HIS158
|
3.7
|
122.6
|
1.0
|
|
C
|
C:HIS158
|
3.8
|
122.6
|
1.0
|
|
CA
|
C:HIS158
|
4.1
|
122.6
|
1.0
|
|
CB
|
C:HIS158
|
4.1
|
122.6
|
1.0
|
|
N
|
C:THR157
|
4.2
|
121.7
|
1.0
|
|
HA
|
C:ALA193
|
4.6
|
148.3
|
1.0
|
|
CB
|
C:SER180
|
4.6
|
151.6
|
1.0
|
|
H
|
C:HIS178
|
4.6
|
138.8
|
1.0
|
|
C
|
C:THR157
|
4.7
|
121.7
|
1.0
|
|
CA
|
C:CYS156
|
4.7
|
118.5
|
1.0
|
|
C
|
C:CYS156
|
4.8
|
118.5
|
1.0
|
|
CB
|
C:HIS178
|
4.8
|
138.8
|
1.0
|
|
O
|
C:LEU159
|
4.8
|
111.5
|
1.0
|
|
CA
|
C:THR157
|
5.0
|
121.7
|
1.0
|
|
Iron binding site 5 out
of 10 in 7rja
Go back to
Iron Binding Sites List in 7rja
Iron binding site 5 out
of 10 in the Complex III2 From Candida Albicans, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Complex III2 From Candida Albicans, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe301
b:37.6
occ:1.00
|
FE2
|
C:FES301
|
0.0
|
37.6
|
1.0
|
|
O
|
C:HIS158
|
2.2
|
122.6
|
1.0
|
|
S2
|
C:FES301
|
2.2
|
37.4
|
1.0
|
|
S1
|
C:FES301
|
2.2
|
35.9
|
1.0
|
|
C
|
C:HIS158
|
3.1
|
122.6
|
1.0
|
|
FE1
|
C:FES301
|
3.2
|
40.6
|
1.0
|
|
CB
|
C:LEU159
|
3.4
|
111.5
|
1.0
|
|
CB
|
C:HIS158
|
3.8
|
122.6
|
1.0
|
|
N
|
C:LEU159
|
3.9
|
111.5
|
1.0
|
|
O
|
C:LEU159
|
4.0
|
111.5
|
1.0
|
|
CA
|
C:LEU159
|
4.0
|
111.5
|
1.0
|
|
CA
|
C:HIS158
|
4.1
|
122.6
|
1.0
|
|
CB
|
C:CYS177
|
4.2
|
137.6
|
1.0
|
|
CB
|
C:HIS178
|
4.2
|
138.8
|
1.0
|
|
C
|
C:LEU159
|
4.3
|
111.5
|
1.0
|
|
H
|
C:HIS178
|
4.5
|
138.8
|
1.0
|
|
H
|
C:HIS158
|
4.6
|
122.6
|
1.0
|
|
H
|
C:LEU159
|
4.7
|
111.5
|
1.0
|
|
N
|
C:HIS178
|
4.7
|
138.8
|
1.0
|
|
N
|
C:HIS158
|
4.7
|
122.6
|
1.0
|
|
HA
|
C:HIS158
|
4.8
|
122.6
|
1.0
|
|
HA
|
C:LEU159
|
5.0
|
111.5
|
1.0
|
|
Iron binding site 6 out
of 10 in 7rja
Go back to
Iron Binding Sites List in 7rja
Iron binding site 6 out
of 10 in the Complex III2 From Candida Albicans, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Complex III2 From Candida Albicans, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Fe401
b:76.2
occ:1.00
|
FE
|
T:HEM401
|
0.0
|
76.2
|
1.0
|
|
NE2
|
T:HIS82
|
1.9
|
74.9
|
1.0
|
|
NC
|
T:HEM401
|
2.0
|
76.2
|
1.0
|
|
NB
|
T:HEM401
|
2.0
|
76.2
|
1.0
|
|
NA
|
T:HEM401
|
2.0
|
76.2
|
1.0
|
|
ND
|
T:HEM401
|
2.0
|
76.2
|
1.0
|
|
HE1
|
T:HIS82
|
2.4
|
74.9
|
1.0
|
|
CE1
|
T:HIS82
|
2.4
|
74.9
|
1.0
|
|
NE2
|
T:HIS183
|
2.5
|
76.0
|
1.0
|
|
C4C
|
T:HEM401
|
3.0
|
76.2
|
1.0
|
|
C4A
|
T:HEM401
|
3.0
|
76.2
|
1.0
|
|
C1D
|
T:HEM401
|
3.0
|
76.2
|
1.0
|
|
C1C
|
T:HEM401
|
3.0
|
76.2
|
1.0
|
|
C1B
|
T:HEM401
|
3.0
|
76.2
|
1.0
|
|
C1A
|
T:HEM401
|
3.0
|
76.2
|
1.0
|
|
C4B
|
T:HEM401
|
3.1
|
76.2
|
1.0
|
|
C4D
|
T:HEM401
|
3.1
|
76.2
|
1.0
|
|
CD2
|
T:HIS82
|
3.2
|
74.9
|
1.0
|
|
CE1
|
T:HIS183
|
3.4
|
76.0
|
1.0
|
|
CHD
|
T:HEM401
|
3.4
|
76.2
|
1.0
|
|
CHB
|
T:HEM401
|
3.4
|
76.2
|
1.0
|
|
CHC
|
T:HEM401
|
3.4
|
76.2
|
1.0
|
|
CD2
|
T:HIS183
|
3.4
|
76.0
|
1.0
|
|
CHA
|
T:HEM401
|
3.4
|
76.2
|
1.0
|
|
HE1
|
T:HIS183
|
3.5
|
76.0
|
1.0
|
|
OE1
|
T:GLN43
|
3.6
|
75.4
|
1.0
|
|
HD2
|
T:HIS183
|
3.6
|
76.0
|
1.0
|
|
HD2
|
T:HIS82
|
3.6
|
74.9
|
1.0
|
|
ND1
|
T:HIS82
|
3.6
|
74.9
|
1.0
|
|
HE22
|
T:GLN43
|
3.8
|
75.4
|
1.0
|
|
CG
|
T:HIS82
|
4.0
|
74.9
|
1.0
|
|
HA3
|
T:GLY131
|
4.2
|
78.4
|
1.0
|
|
CD
|
T:GLN43
|
4.2
|
75.4
|
1.0
|
|
C3C
|
T:HEM401
|
4.2
|
76.2
|
1.0
|
|
C3A
|
T:HEM401
|
4.2
|
76.2
|
1.0
|
|
C2C
|
T:HEM401
|
4.2
|
76.2
|
1.0
|
|
C2A
|
T:HEM401
|
4.2
|
76.2
|
1.0
|
|
HHD
|
T:HEM401
|
4.3
|
76.2
|
1.0
|
|
C2B
|
T:HEM401
|
4.3
|
76.2
|
1.0
|
|
C3B
|
T:HEM401
|
4.3
|
76.2
|
1.0
|
|
C2D
|
T:HEM401
|
4.3
|
76.2
|
1.0
|
|
C3D
|
T:HEM401
|
4.3
|
76.2
|
1.0
|
|
NE2
|
T:GLN43
|
4.3
|
75.4
|
1.0
|
|
HD1
|
T:HIS82
|
4.3
|
74.9
|
1.0
|
|
HHB
|
T:HEM401
|
4.4
|
76.2
|
1.0
|
|
HHA
|
T:HEM401
|
4.4
|
76.2
|
1.0
|
|
HHC
|
T:HEM401
|
4.4
|
76.2
|
1.0
|
|
ND1
|
T:HIS183
|
4.5
|
76.0
|
1.0
|
|
CG
|
T:HIS183
|
4.5
|
76.0
|
1.0
|
|
HA3
|
T:GLY47
|
4.7
|
74.9
|
1.0
|
|
HA2
|
T:GLY47
|
4.8
|
74.9
|
1.0
|
|
HA2
|
T:GLY131
|
4.8
|
78.4
|
1.0
|
|
O
|
T:GLN43
|
4.8
|
75.4
|
1.0
|
|
CA
|
T:GLY131
|
4.9
|
78.4
|
1.0
|
|
HB3
|
T:GLN43
|
5.0
|
75.4
|
1.0
|
|
HG22
|
T:ILE127
|
5.0
|
76.0
|
1.0
|
|
HE21
|
T:GLN43
|
5.0
|
75.4
|
1.0
|
|
Iron binding site 7 out
of 10 in 7rja
Go back to
Iron Binding Sites List in 7rja
Iron binding site 7 out
of 10 in the Complex III2 From Candida Albicans, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Complex III2 From Candida Albicans, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Fe402
b:75.0
occ:1.00
|
FE
|
T:HEM402
|
0.0
|
75.0
|
1.0
|
|
ND
|
T:HEM402
|
2.0
|
75.0
|
1.0
|
|
NB
|
T:HEM402
|
2.0
|
75.0
|
1.0
|
|
NC
|
T:HEM402
|
2.1
|
75.0
|
1.0
|
|
NA
|
T:HEM402
|
2.1
|
75.0
|
1.0
|
|
NE2
|
T:HIS197
|
2.2
|
74.5
|
1.0
|
|
NE2
|
T:HIS96
|
2.5
|
73.3
|
1.0
|
|
C4D
|
T:HEM402
|
2.9
|
75.0
|
1.0
|
|
C1D
|
T:HEM402
|
2.9
|
75.0
|
1.0
|
|
CD2
|
T:HIS197
|
2.9
|
74.5
|
1.0
|
|
HD2
|
T:HIS96
|
2.9
|
73.3
|
1.0
|
|
C1B
|
T:HEM402
|
3.0
|
75.0
|
1.0
|
|
C4B
|
T:HEM402
|
3.0
|
75.0
|
1.0
|
|
HD2
|
T:HIS197
|
3.0
|
74.5
|
1.0
|
|
CD2
|
T:HIS96
|
3.0
|
73.3
|
1.0
|
|
C4A
|
T:HEM402
|
3.1
|
75.0
|
1.0
|
|
C1C
|
T:HEM402
|
3.1
|
75.0
|
1.0
|
|
C4C
|
T:HEM402
|
3.1
|
75.0
|
1.0
|
|
C1A
|
T:HEM402
|
3.1
|
75.0
|
1.0
|
|
CE1
|
T:HIS197
|
3.2
|
74.5
|
1.0
|
|
CHB
|
T:HEM402
|
3.4
|
75.0
|
1.0
|
|
CHC
|
T:HEM402
|
3.4
|
75.0
|
1.0
|
|
CHA
|
T:HEM402
|
3.4
|
75.0
|
1.0
|
|
CHD
|
T:HEM402
|
3.4
|
75.0
|
1.0
|
|
HE1
|
T:HIS197
|
3.5
|
74.5
|
1.0
|
|
CE1
|
T:HIS96
|
3.6
|
73.3
|
1.0
|
|
HE1
|
T:HIS96
|
3.9
|
73.3
|
1.0
|
|
C3D
|
T:HEM402
|
4.0
|
75.0
|
1.0
|
|
C2D
|
T:HEM402
|
4.1
|
75.0
|
1.0
|
|
CG
|
T:HIS197
|
4.1
|
74.5
|
1.0
|
|
ND1
|
T:HIS197
|
4.2
|
74.5
|
1.0
|
|
C2B
|
T:HEM402
|
4.2
|
75.0
|
1.0
|
|
C3B
|
T:HEM402
|
4.2
|
75.0
|
1.0
|
|
CG
|
T:HIS96
|
4.3
|
73.3
|
1.0
|
|
C3A
|
T:HEM402
|
4.3
|
75.0
|
1.0
|
|
C2C
|
T:HEM402
|
4.3
|
75.0
|
1.0
|
|
C2A
|
T:HEM402
|
4.3
|
75.0
|
1.0
|
|
C3C
|
T:HEM402
|
4.3
|
75.0
|
1.0
|
|
HHB
|
T:HEM402
|
4.3
|
75.0
|
1.0
|
|
HHD
|
T:HEM402
|
4.3
|
75.0
|
1.0
|
|
HHA
|
T:HEM402
|
4.4
|
75.0
|
1.0
|
|
HHC
|
T:HEM402
|
4.4
|
75.0
|
1.0
|
|
HD12
|
T:LEU36
|
4.5
|
74.5
|
1.0
|
|
HA2
|
T:GLY33
|
4.5
|
75.6
|
1.0
|
|
ND1
|
T:HIS96
|
4.6
|
73.3
|
1.0
|
|
HD13
|
T:LEU36
|
4.6
|
74.5
|
1.0
|
|
HD12
|
T:LEU113
|
5.0
|
75.7
|
1.0
|
|
HD1
|
T:HIS197
|
5.0
|
74.5
|
1.0
|
|
CD1
|
T:LEU36
|
5.0
|
74.5
|
1.0
|
|
Iron binding site 8 out
of 10 in 7rja
Go back to
Iron Binding Sites List in 7rja
Iron binding site 8 out
of 10 in the Complex III2 From Candida Albicans, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Complex III2 From Candida Albicans, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
N:Fe301
b:108.5
occ:1.00
|
FE
|
N:HEC301
|
0.0
|
108.5
|
1.0
|
|
NE2
|
N:HIS86
|
1.6
|
91.2
|
1.0
|
|
ND
|
N:HEC301
|
2.0
|
108.5
|
1.0
|
|
NA
|
N:HEC301
|
2.0
|
108.5
|
1.0
|
|
NB
|
N:HEC301
|
2.1
|
108.5
|
1.0
|
|
NC
|
N:HEC301
|
2.1
|
108.5
|
1.0
|
|
CE1
|
N:HIS86
|
2.5
|
91.2
|
1.0
|
|
HE1
|
N:HIS86
|
2.6
|
91.2
|
1.0
|
|
CD2
|
N:HIS86
|
2.8
|
91.2
|
1.0
|
|
SD
|
N:MET206
|
3.0
|
95.3
|
1.0
|
|
C4A
|
N:HEC301
|
3.0
|
108.5
|
1.0
|
|
C1A
|
N:HEC301
|
3.0
|
108.5
|
1.0
|
|
C1D
|
N:HEC301
|
3.0
|
108.5
|
1.0
|
|
C4D
|
N:HEC301
|
3.0
|
108.5
|
1.0
|
|
C1C
|
N:HEC301
|
3.0
|
108.5
|
1.0
|
|
C4C
|
N:HEC301
|
3.0
|
108.5
|
1.0
|
|
C1B
|
N:HEC301
|
3.1
|
108.5
|
1.0
|
|
C4B
|
N:HEC301
|
3.1
|
108.5
|
1.0
|
|
HD2
|
N:HIS86
|
3.1
|
91.2
|
1.0
|
|
HG3
|
N:MET206
|
3.1
|
95.3
|
1.0
|
|
CHA
|
N:HEC301
|
3.4
|
108.5
|
1.0
|
|
CHD
|
N:HEC301
|
3.4
|
108.5
|
1.0
|
|
CHB
|
N:HEC301
|
3.4
|
108.5
|
1.0
|
|
CHC
|
N:HEC301
|
3.4
|
108.5
|
1.0
|
|
CG
|
N:MET206
|
3.6
|
95.3
|
1.0
|
|
ND1
|
N:HIS86
|
3.6
|
91.2
|
1.0
|
|
HB3
|
N:PRO155
|
3.8
|
94.2
|
1.0
|
|
HB2
|
N:MET206
|
3.8
|
95.3
|
1.0
|
|
CG
|
N:HIS86
|
3.8
|
91.2
|
1.0
|
|
HB2
|
N:PRO155
|
4.2
|
94.2
|
1.0
|
|
C3A
|
N:HEC301
|
4.2
|
108.5
|
1.0
|
|
C2A
|
N:HEC301
|
4.2
|
108.5
|
1.0
|
|
C2C
|
N:HEC301
|
4.2
|
108.5
|
1.0
|
|
C3C
|
N:HEC301
|
4.2
|
108.5
|
1.0
|
|
C3D
|
N:HEC301
|
4.2
|
108.5
|
1.0
|
|
C2D
|
N:HEC301
|
4.2
|
108.5
|
1.0
|
|
CB
|
N:MET206
|
4.2
|
95.3
|
1.0
|
|
HHA
|
N:HEC301
|
4.3
|
108.5
|
1.0
|
|
C2B
|
N:HEC301
|
4.3
|
108.5
|
1.0
|
|
C3B
|
N:HEC301
|
4.3
|
108.5
|
1.0
|
|
HHD
|
N:HEC301
|
4.4
|
108.5
|
1.0
|
|
HHC
|
N:HEC301
|
4.4
|
108.5
|
1.0
|
|
HD2
|
N:PRO156
|
4.4
|
91.0
|
1.0
|
|
HG2
|
N:MET206
|
4.4
|
95.3
|
1.0
|
|
HD1
|
N:HIS86
|
4.4
|
91.2
|
1.0
|
|
HHB
|
N:HEC301
|
4.4
|
108.5
|
1.0
|
|
CB
|
N:PRO155
|
4.4
|
94.2
|
1.0
|
|
HA
|
N:PRO155
|
4.5
|
94.2
|
1.0
|
|
HB2
|
N:CYS85
|
4.6
|
92.9
|
1.0
|
|
HD21
|
N:LEU158
|
4.7
|
89.0
|
1.0
|
|
CE
|
N:MET206
|
4.7
|
95.3
|
1.0
|
|
HB3
|
N:MET206
|
4.9
|
95.3
|
1.0
|
|
HE1
|
N:MET206
|
5.0
|
95.3
|
1.0
|
|
CA
|
N:PRO155
|
5.0
|
94.2
|
1.0
|
|
Iron binding site 9 out
of 10 in 7rja
Go back to
Iron Binding Sites List in 7rja
Iron binding site 9 out
of 10 in the Complex III2 From Candida Albicans, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Complex III2 From Candida Albicans, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Fe301
b:40.6
occ:1.00
|
FE1
|
M:FES301
|
0.0
|
40.6
|
1.0
|
|
S1
|
M:FES301
|
2.2
|
35.9
|
1.0
|
|
S2
|
M:FES301
|
2.3
|
37.4
|
1.0
|
|
O
|
M:HIS158
|
2.7
|
128.5
|
1.0
|
|
FE2
|
M:FES301
|
3.2
|
37.6
|
1.0
|
|
CB
|
M:CYS156
|
3.4
|
125.1
|
1.0
|
|
CB
|
M:CYS175
|
3.6
|
146.1
|
1.0
|
|
H
|
M:HIS158
|
3.6
|
128.5
|
1.0
|
|
C
|
M:HIS158
|
3.9
|
128.5
|
1.0
|
|
H
|
M:THR157
|
4.1
|
127.9
|
1.0
|
|
N
|
M:HIS158
|
4.2
|
128.5
|
1.0
|
|
H
|
M:HIS178
|
4.2
|
139.5
|
1.0
|
|
O
|
M:LEU159
|
4.3
|
118.3
|
1.0
|
|
CA
|
M:HIS158
|
4.4
|
128.5
|
1.0
|
|
CB
|
M:HIS178
|
4.4
|
139.5
|
1.0
|
|
CB
|
M:HIS158
|
4.5
|
128.5
|
1.0
|
|
N
|
M:THR157
|
4.6
|
127.9
|
1.0
|
|
CB
|
M:SER180
|
4.7
|
153.6
|
1.0
|
|
CA
|
M:CYS156
|
4.8
|
125.1
|
1.0
|
|
N
|
M:HIS178
|
4.8
|
139.5
|
1.0
|
|
C
|
M:LEU159
|
4.9
|
118.3
|
1.0
|
|
HA
|
M:ALA193
|
4.9
|
152.1
|
1.0
|
|
H
|
M:SER180
|
5.0
|
153.6
|
1.0
|
|
H
|
M:CYS161
|
5.0
|
114.0
|
1.0
|
|
N
|
M:LEU159
|
5.0
|
118.3
|
1.0
|
|
CA
|
M:CYS175
|
5.0
|
146.1
|
1.0
|
|
Iron binding site 10 out
of 10 in 7rja
Go back to
Iron Binding Sites List in 7rja
Iron binding site 10 out
of 10 in the Complex III2 From Candida Albicans, Inhibitor Free
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Complex III2 From Candida Albicans, Inhibitor Free within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Fe301
b:37.6
occ:1.00
|
FE2
|
M:FES301
|
0.0
|
37.6
|
1.0
|
|
S2
|
M:FES301
|
2.2
|
37.4
|
1.0
|
|
S1
|
M:FES301
|
2.2
|
35.9
|
1.0
|
|
O
|
M:HIS158
|
2.6
|
128.5
|
1.0
|
|
CB
|
M:LEU159
|
2.9
|
118.3
|
1.0
|
|
FE1
|
M:FES301
|
3.2
|
40.6
|
1.0
|
|
O
|
M:LEU159
|
3.5
|
118.3
|
1.0
|
|
C
|
M:HIS158
|
3.6
|
128.5
|
1.0
|
|
CB
|
M:CYS177
|
3.6
|
139.0
|
1.0
|
|
CA
|
M:LEU159
|
3.8
|
118.3
|
1.0
|
|
C
|
M:LEU159
|
4.1
|
118.3
|
1.0
|
|
N
|
M:LEU159
|
4.1
|
118.3
|
1.0
|
|
CB
|
M:HIS178
|
4.2
|
139.5
|
1.0
|
|
H
|
M:HIS178
|
4.3
|
139.5
|
1.0
|
|
N
|
M:HIS178
|
4.4
|
139.5
|
1.0
|
|
C
|
M:CYS177
|
4.6
|
139.0
|
1.0
|
|
HA
|
M:LEU159
|
4.7
|
118.3
|
1.0
|
|
CB
|
M:HIS158
|
4.7
|
128.5
|
1.0
|
|
CA
|
M:HIS158
|
4.7
|
128.5
|
1.0
|
|
CA
|
M:CYS177
|
4.8
|
139.0
|
1.0
|
|
H
|
M:LEU159
|
4.9
|
118.3
|
1.0
|
|
CA
|
M:HIS178
|
4.9
|
139.5
|
1.0
|
|
Reference:
J.M.Di Trani,
L.Zhongle,
L.Whitesell,
P.Brzezinski,
L.E.Cowen,
J.L.Rubinstein.
Rieske Head Domain Dynamics and Indazole-Derivative Inhibition of Candida Albicans Complex III To Be Published.
Page generated: Fri Sep 24 14:21:36 2021
|
