Iron in PDB 7rjc: Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in Intermediate Position
Enzymatic activity of Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in Intermediate Position
All present enzymatic activity of Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in Intermediate Position:
7.1.1.8;
Iron Binding Sites:
The binding sites of Iron atom in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in Intermediate Position
(pdb code 7rjc). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the
Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in Intermediate Position, PDB code: 7rjc:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
Iron binding site 1 out
of 5 in 7rjc
Go back to
Iron Binding Sites List in 7rjc
Iron binding site 1 out
of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in Intermediate Position
 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, Rieske Head Domain in Intermediate Position 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
|
|
NA
|
K:HEM401
|
2.0
|
74.2
|
1.0
|
|
NC
|
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
|
|
C1C
|
K:HEM401
|
3.0
|
74.2
|
1.0
|
|
C4C
|
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
|
|
CHC
|
K:HEM401
|
3.4
|
74.2
|
1.0
|
|
CHD
|
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
|
4.3
|
74.2
|
1.0
|
|
C2B
|
K:HEM401
|
4.3
|
74.2
|
1.0
|
|
CD
|
K:GLN43
|
4.3
|
73.5
|
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 5 in 7rjc
Go back to
Iron Binding Sites List in 7rjc
Iron binding site 2 out
of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in Intermediate Position
 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, Rieske Head Domain in Intermediate Position 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 5 in 7rjc
Go back to
Iron Binding Sites List in 7rjc
Iron binding site 3 out
of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in Intermediate Position
 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, Rieske Head Domain in Intermediate Position within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe301
b:90.6
occ:1.00
|
FE
|
D:HEC301
|
0.0
|
90.6
|
1.0
|
|
NC
|
D:HEC301
|
2.0
|
90.6
|
1.0
|
|
NB
|
D:HEC301
|
2.0
|
90.6
|
1.0
|
|
ND
|
D:HEC301
|
2.0
|
90.6
|
1.0
|
|
NA
|
D:HEC301
|
2.1
|
90.6
|
1.0
|
|
NE2
|
D:HIS86
|
2.1
|
88.5
|
1.0
|
|
CD2
|
D:HIS86
|
2.9
|
88.5
|
1.0
|
|
HD2
|
D:HIS86
|
2.9
|
88.5
|
1.0
|
|
HG3
|
D:MET206
|
2.9
|
92.8
|
1.0
|
|
SD
|
D:MET206
|
3.0
|
92.8
|
1.0
|
|
C1C
|
D:HEC301
|
3.0
|
90.6
|
1.0
|
|
C1D
|
D:HEC301
|
3.0
|
90.6
|
1.0
|
|
C4B
|
D:HEC301
|
3.0
|
90.6
|
1.0
|
|
C4C
|
D:HEC301
|
3.0
|
90.6
|
1.0
|
|
C1B
|
D:HEC301
|
3.0
|
90.6
|
1.0
|
|
C4D
|
D:HEC301
|
3.1
|
90.6
|
1.0
|
|
C1A
|
D:HEC301
|
3.1
|
90.6
|
1.0
|
|
C4A
|
D:HEC301
|
3.1
|
90.6
|
1.0
|
|
CE1
|
D:HIS86
|
3.3
|
88.5
|
1.0
|
|
CHC
|
D:HEC301
|
3.4
|
90.6
|
1.0
|
|
CHD
|
D:HEC301
|
3.4
|
90.6
|
1.0
|
|
CG
|
D:MET206
|
3.4
|
92.8
|
1.0
|
|
CHA
|
D:HEC301
|
3.4
|
90.6
|
1.0
|
|
CHB
|
D:HEC301
|
3.4
|
90.6
|
1.0
|
|
HE1
|
D:HIS86
|
3.6
|
88.5
|
1.0
|
|
HG2
|
D:MET206
|
4.0
|
92.8
|
1.0
|
|
CG
|
D:HIS86
|
4.1
|
88.5
|
1.0
|
|
HB3
|
D:PRO155
|
4.2
|
90.2
|
1.0
|
|
C2C
|
D:HEC301
|
4.2
|
90.6
|
1.0
|
|
C3C
|
D:HEC301
|
4.2
|
90.6
|
1.0
|
|
C2D
|
D:HEC301
|
4.2
|
90.6
|
1.0
|
|
C2B
|
D:HEC301
|
4.2
|
90.6
|
1.0
|
|
C3B
|
D:HEC301
|
4.3
|
90.6
|
1.0
|
|
C3D
|
D:HEC301
|
4.3
|
90.6
|
1.0
|
|
C2A
|
D:HEC301
|
4.3
|
90.6
|
1.0
|
|
ND1
|
D:HIS86
|
4.3
|
88.5
|
1.0
|
|
C3A
|
D:HEC301
|
4.3
|
90.6
|
1.0
|
|
HHC
|
D:HEC301
|
4.3
|
90.6
|
1.0
|
|
HHD
|
D:HEC301
|
4.4
|
90.6
|
1.0
|
|
HHA
|
D:HEC301
|
4.4
|
90.6
|
1.0
|
|
HHB
|
D:HEC301
|
4.4
|
90.6
|
1.0
|
|
HB2
|
D:CYS85
|
4.5
|
90.6
|
1.0
|
|
HB2
|
D:MET206
|
4.5
|
92.8
|
1.0
|
|
CB
|
D:MET206
|
4.6
|
92.8
|
1.0
|
|
HB2
|
D:PRO155
|
4.6
|
90.2
|
1.0
|
|
CE
|
D:MET206
|
4.7
|
92.8
|
1.0
|
|
HD21
|
D:LEU158
|
4.8
|
86.4
|
1.0
|
|
CB
|
D:PRO155
|
4.8
|
90.2
|
1.0
|
|
HD2
|
D:PRO156
|
4.9
|
87.3
|
1.0
|
|
HA
|
D:MET206
|
4.9
|
92.8
|
1.0
|
|
HE1
|
D:MET206
|
4.9
|
92.8
|
1.0
|
|
HD11
|
D:LEU158
|
5.0
|
86.4
|
1.0
|
|
HA
|
D:PRO155
|
5.0
|
90.2
|
1.0
|
|
HE3
|
D:MET206
|
5.0
|
92.8
|
1.0
|
|
Iron binding site 4 out
of 5 in 7rjc
Go back to
Iron Binding Sites List in 7rjc
Iron binding site 4 out
of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in Intermediate Position
 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, Rieske Head Domain in Intermediate Position within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe301
b:40.6
occ:1.00
|
FE1
|
E:FES301
|
0.0
|
40.6
|
1.0
|
|
CB
|
E:THR157
|
1.0
|
0.9
|
1.0
|
|
S1
|
E:FES301
|
2.2
|
35.9
|
1.0
|
|
S2
|
E:FES301
|
2.3
|
37.4
|
1.0
|
|
CA
|
E:THR157
|
2.4
|
0.9
|
1.0
|
|
O
|
E:LEU159
|
2.7
|
0.9
|
1.0
|
|
FE2
|
E:FES301
|
3.2
|
37.6
|
1.0
|
|
N
|
E:THR157
|
3.2
|
0.9
|
1.0
|
|
C
|
E:THR157
|
3.2
|
0.9
|
1.0
|
|
CB
|
E:CYS161
|
3.3
|
0.9
|
1.0
|
|
N
|
E:HIS158
|
3.7
|
0.8
|
1.0
|
|
O
|
E:THR157
|
3.9
|
0.9
|
1.0
|
|
C
|
E:LEU159
|
3.9
|
0.9
|
1.0
|
|
N
|
E:CYS161
|
4.0
|
0.9
|
1.0
|
|
N
|
E:LEU159
|
4.2
|
0.9
|
1.0
|
|
CB
|
E:ALA193
|
4.2
|
0.9
|
1.0
|
|
CA
|
E:CYS161
|
4.2
|
0.9
|
1.0
|
|
CB
|
E:CYS175
|
4.3
|
0.9
|
1.0
|
|
C
|
E:CYS156
|
4.3
|
0.9
|
1.0
|
|
C
|
E:GLY160
|
4.4
|
0.9
|
1.0
|
|
N
|
E:ALA193
|
4.6
|
0.9
|
1.0
|
|
CA
|
E:ALA193
|
4.6
|
0.9
|
1.0
|
|
CA
|
E:LEU159
|
4.6
|
0.9
|
1.0
|
|
O
|
E:GLY160
|
4.8
|
0.9
|
1.0
|
|
C
|
E:HIS158
|
4.8
|
0.8
|
1.0
|
|
CB
|
E:LEU159
|
4.9
|
0.9
|
1.0
|
|
CA
|
E:HIS158
|
4.9
|
0.8
|
1.0
|
|
O
|
E:CYS156
|
4.9
|
0.9
|
1.0
|
|
CB
|
E:PRO192
|
5.0
|
0.9
|
1.0
|
|
N
|
E:GLY160
|
5.0
|
0.9
|
1.0
|
|
Iron binding site 5 out
of 5 in 7rjc
Go back to
Iron Binding Sites List in 7rjc
Iron binding site 5 out
of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in Intermediate Position
 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, Rieske Head Domain in Intermediate Position within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe301
b:37.6
occ:1.00
|
FE2
|
E:FES301
|
0.0
|
37.6
|
1.0
|
|
S2
|
E:FES301
|
2.2
|
37.4
|
1.0
|
|
S1
|
E:FES301
|
2.2
|
35.9
|
1.0
|
|
FE1
|
E:FES301
|
3.2
|
40.6
|
1.0
|
|
O
|
E:LEU159
|
3.4
|
0.9
|
1.0
|
|
CB
|
E:LEU159
|
3.9
|
0.9
|
1.0
|
|
CB
|
E:THR157
|
4.2
|
0.9
|
1.0
|
|
O
|
E:GLY160
|
4.2
|
0.9
|
1.0
|
|
C
|
E:LEU159
|
4.2
|
0.9
|
1.0
|
|
CB
|
E:HIS178
|
4.4
|
0.8
|
1.0
|
|
CB
|
E:CYS161
|
4.5
|
0.9
|
1.0
|
|
CB
|
E:CYS177
|
4.6
|
0.9
|
1.0
|
|
CA
|
E:LEU159
|
4.6
|
0.9
|
1.0
|
|
C
|
E:GLY160
|
4.7
|
0.9
|
1.0
|
|
CB
|
E:PRO192
|
4.8
|
0.9
|
1.0
|
|
N
|
E:HIS178
|
4.9
|
0.8
|
1.0
|
|
CA
|
E:CYS161
|
4.9
|
0.9
|
1.0
|
|
N
|
E:LEU159
|
4.9
|
0.9
|
1.0
|
|
N
|
E:CYS161
|
5.0
|
0.9
|
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: Thu Aug 8 23:48:02 2024
|
