Iron in PDB 7rjb: Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position
Enzymatic activity of Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B Position
All present enzymatic activity of Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B 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 B Position
(pdb code 7rjb). 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 B Position, PDB code: 7rjb:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
Iron binding site 1 out
of 5 in 7rjb
Go back to
Iron Binding Sites List in 7rjb
Iron binding site 1 out
of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B 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 B 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 7rjb
Go back to
Iron Binding Sites List in 7rjb
Iron binding site 2 out
of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B 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 B 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 7rjb
Go back to
Iron Binding Sites List in 7rjb
Iron binding site 3 out
of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B 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 B 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 7rjb
Go back to
Iron Binding Sites List in 7rjb
Iron binding site 4 out
of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B 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 B 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
|
1.9
|
0.9
|
1.0
|
|
S1
|
E:FES301
|
2.2
|
35.9
|
1.0
|
|
S2
|
E:FES301
|
2.3
|
37.4
|
1.0
|
|
CB
|
E:CYS161
|
2.4
|
0.9
|
1.0
|
|
O
|
E:LEU159
|
2.6
|
0.9
|
1.0
|
|
CA
|
E:THR157
|
3.1
|
0.9
|
1.0
|
|
FE2
|
E:FES301
|
3.2
|
37.6
|
1.0
|
|
CA
|
E:CYS161
|
3.3
|
0.9
|
1.0
|
|
N
|
E:CYS161
|
3.3
|
0.9
|
1.0
|
|
N
|
E:THR157
|
3.4
|
0.9
|
1.0
|
|
C
|
E:GLY160
|
3.7
|
0.9
|
1.0
|
|
C
|
E:THR157
|
3.8
|
0.9
|
1.0
|
|
C
|
E:LEU159
|
3.9
|
0.9
|
1.0
|
|
O
|
E:GLY160
|
4.0
|
0.9
|
1.0
|
|
CB
|
E:CYS175
|
4.1
|
0.9
|
1.0
|
|
O
|
E:THR157
|
4.2
|
0.9
|
1.0
|
|
N
|
E:HIS158
|
4.5
|
0.8
|
1.0
|
|
C
|
E:CYS156
|
4.5
|
0.9
|
1.0
|
|
CA
|
E:GLY160
|
4.6
|
0.9
|
1.0
|
|
C
|
E:CYS161
|
4.6
|
0.9
|
1.0
|
|
N
|
E:LEU159
|
4.6
|
0.9
|
1.0
|
|
N
|
E:GLY160
|
4.7
|
0.9
|
1.0
|
|
CB
|
E:CYS177
|
4.7
|
0.9
|
1.0
|
|
CA
|
E:LEU159
|
4.8
|
0.9
|
1.0
|
|
O
|
E:CYS161
|
4.9
|
0.9
|
1.0
|
|
Iron binding site 5 out
of 5 in 7rjb
Go back to
Iron Binding Sites List in 7rjb
Iron binding site 5 out
of 5 in the Complex III2 From Candida Albicans, Inhibitor Free, Rieske Head Domain in B 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 B 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
|
|
CB
|
E:CYS177
|
3.5
|
0.9
|
1.0
|
|
O
|
E:GLY160
|
3.9
|
0.9
|
1.0
|
|
O
|
E:LEU159
|
4.0
|
0.9
|
1.0
|
|
N
|
E:HIS178
|
4.1
|
0.8
|
1.0
|
|
HG23
|
K:VAL146
|
4.1
|
89.0
|
1.0
|
|
CB
|
E:HIS178
|
4.1
|
0.8
|
1.0
|
|
CB
|
E:CYS161
|
4.3
|
0.9
|
1.0
|
|
C
|
E:CYS177
|
4.3
|
0.9
|
1.0
|
|
HG13
|
K:VAL146
|
4.4
|
89.0
|
1.0
|
|
CA
|
E:CYS177
|
4.5
|
0.9
|
1.0
|
|
CA
|
E:CYS161
|
4.5
|
0.9
|
1.0
|
|
C
|
E:GLY160
|
4.6
|
0.9
|
1.0
|
|
CA
|
E:HIS178
|
4.7
|
0.8
|
1.0
|
|
CB
|
E:LEU159
|
4.7
|
0.9
|
1.0
|
|
HG12
|
K:VAL146
|
4.8
|
89.0
|
1.0
|
|
O
|
E:CYS177
|
4.8
|
0.9
|
1.0
|
|
C
|
E:LEU159
|
4.8
|
0.9
|
1.0
|
|
CB
|
E:THR157
|
4.8
|
0.9
|
1.0
|
|
N
|
E:CYS161
|
4.8
|
0.9
|
1.0
|
|
HD21
|
K:LEU150
|
5.0
|
92.0
|
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 23:47:53 2024
|
