Iron in PDB 7m8i: Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
Enzymatic activity of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
All present enzymatic activity of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole:
1.14.15.4;
1.14.15.5;
Protein crystallography data
The structure of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole, PDB code: 7m8i
was solved by
E.E.Scott,
S.Brixius-Anderko,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.16 /
2.94
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
140.579,
208.7,
124.919,
90,
114.07,
90
|
R / Rfree (%)
|
21 /
24.4
|
Iron Binding Sites:
The binding sites of Iron atom in the Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
(pdb code 7m8i). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 9 binding sites of Iron where determined in the
Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole, PDB code: 7m8i:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Iron binding site 1 out
of 9 in 7m8i
Go back to
Iron Binding Sites List in 7m8i
Iron binding site 1 out
of 9 in the Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1601
b:36.0
occ:1.00
|
FE1
|
A:FES1601
|
0.0
|
36.0
|
1.0
|
S1
|
A:FES1601
|
2.2
|
40.2
|
1.0
|
S2
|
A:FES1601
|
2.2
|
43.2
|
1.0
|
SG
|
A:CYS112
|
2.4
|
42.0
|
1.0
|
SG
|
A:CYS106
|
2.9
|
59.3
|
1.0
|
FE2
|
A:FES1601
|
3.0
|
37.2
|
1.0
|
H
|
A:CYS112
|
3.1
|
66.1
|
1.0
|
H
|
A:ALA111
|
3.2
|
56.0
|
1.0
|
H
|
A:CYS106
|
3.4
|
60.6
|
1.0
|
N
|
A:CYS112
|
3.5
|
54.6
|
1.0
|
CB
|
A:CYS112
|
3.6
|
50.2
|
1.0
|
O
|
A:CYS112
|
3.7
|
62.3
|
1.0
|
HA
|
A:LEU110
|
3.8
|
57.4
|
1.0
|
CA
|
A:CYS112
|
3.9
|
57.9
|
1.0
|
HB3
|
A:CYS112
|
3.9
|
60.8
|
1.0
|
C
|
A:CYS112
|
3.9
|
58.9
|
1.0
|
N
|
A:ALA111
|
3.9
|
46.2
|
1.0
|
H
|
A:GLY108
|
3.9
|
51.9
|
1.0
|
H
|
A:THR109
|
4.0
|
54.9
|
1.0
|
HB3
|
A:CYS106
|
4.0
|
54.3
|
1.0
|
CB
|
A:CYS106
|
4.0
|
44.8
|
1.0
|
H
|
A:LEU110
|
4.0
|
53.5
|
1.0
|
N
|
A:CYS106
|
4.2
|
50.1
|
1.0
|
C
|
A:ALA111
|
4.3
|
42.5
|
1.0
|
HG1
|
A:THR114
|
4.3
|
55.2
|
1.0
|
H
|
A:THR114
|
4.3
|
48.8
|
1.0
|
N
|
A:LEU110
|
4.3
|
44.1
|
1.0
|
CA
|
A:CYS106
|
4.4
|
43.4
|
1.0
|
HB2
|
A:CYS112
|
4.4
|
60.8
|
1.0
|
CA
|
A:LEU110
|
4.4
|
47.4
|
1.0
|
HA2
|
A:GLY108
|
4.5
|
45.7
|
1.0
|
C
|
A:LEU110
|
4.6
|
48.5
|
1.0
|
C
|
A:CYS106
|
4.7
|
42.0
|
1.0
|
N
|
A:GLY108
|
4.7
|
42.8
|
1.0
|
CA
|
A:ALA111
|
4.7
|
49.6
|
1.0
|
HA2
|
A:GLY104
|
4.7
|
52.8
|
1.0
|
N
|
A:THR109
|
4.7
|
45.3
|
1.0
|
N
|
A:SER113
|
4.8
|
48.5
|
1.0
|
HB3
|
A:CYS152
|
4.8
|
44.2
|
1.0
|
H
|
A:CYS115
|
4.8
|
52.5
|
1.0
|
HA
|
A:SER113
|
4.8
|
60.4
|
1.0
|
SG
|
A:CYS152
|
4.8
|
72.6
|
1.0
|
HB3
|
A:CYS115
|
4.8
|
47.9
|
1.0
|
HA
|
A:CYS112
|
4.8
|
70.1
|
1.0
|
HB2
|
A:CYS106
|
4.8
|
54.3
|
1.0
|
H
|
A:GLU107
|
4.9
|
54.0
|
1.0
|
SG
|
A:CYS115
|
4.9
|
42.6
|
1.0
|
HD23
|
A:LEU110
|
5.0
|
52.7
|
1.0
|
CA
|
A:GLY108
|
5.0
|
37.6
|
1.0
|
|
Iron binding site 2 out
of 9 in 7m8i
Go back to
Iron Binding Sites List in 7m8i
Iron binding site 2 out
of 9 in the Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1601
b:37.2
occ:1.00
|
FE2
|
A:FES1601
|
0.0
|
37.2
|
1.0
|
S1
|
A:FES1601
|
2.2
|
40.2
|
1.0
|
S2
|
A:FES1601
|
2.2
|
43.2
|
1.0
|
HB3
|
A:CYS152
|
2.2
|
44.2
|
1.0
|
SG
|
A:CYS115
|
2.6
|
42.6
|
1.0
|
SG
|
A:CYS152
|
2.6
|
72.6
|
1.0
|
CB
|
A:CYS152
|
2.8
|
36.4
|
1.0
|
HB3
|
A:CYS115
|
2.9
|
47.9
|
1.0
|
FE1
|
A:FES1601
|
3.0
|
36.0
|
1.0
|
H
|
A:CYS152
|
3.1
|
51.4
|
1.0
|
CB
|
A:CYS115
|
3.3
|
39.4
|
1.0
|
HB2
|
A:CYS152
|
3.5
|
44.2
|
1.0
|
HB2
|
A:CYS115
|
3.7
|
47.9
|
1.0
|
N
|
A:CYS152
|
3.8
|
42.4
|
1.0
|
HA2
|
A:GLY108
|
3.8
|
45.7
|
1.0
|
CA
|
A:CYS152
|
3.9
|
42.4
|
1.0
|
H
|
A:CYS115
|
4.0
|
52.5
|
1.0
|
HB3
|
A:LEU150
|
4.0
|
56.9
|
1.0
|
HD23
|
A:LEU90
|
4.1
|
50.8
|
1.0
|
H
|
A:GLY108
|
4.3
|
51.9
|
1.0
|
HD13
|
A:LEU90
|
4.3
|
46.0
|
1.0
|
HA
|
A:CYS152
|
4.3
|
51.4
|
1.0
|
HA2
|
A:GLY104
|
4.4
|
52.8
|
1.0
|
HD23
|
A:LEU110
|
4.4
|
52.7
|
1.0
|
HD22
|
A:LEU150
|
4.4
|
51.8
|
1.0
|
H
|
A:LEU110
|
4.6
|
53.5
|
1.0
|
CA
|
A:CYS115
|
4.6
|
42.6
|
1.0
|
HA
|
A:LEU110
|
4.6
|
57.4
|
1.0
|
N
|
A:CYS115
|
4.6
|
43.2
|
1.0
|
SG
|
A:CYS112
|
4.7
|
42.0
|
1.0
|
CA
|
A:GLY108
|
4.7
|
37.6
|
1.0
|
HB2
|
A:LEU90
|
4.7
|
64.0
|
1.0
|
HE21
|
A:GLN153
|
4.8
|
58.8
|
1.0
|
N
|
A:GLY108
|
4.9
|
42.8
|
1.0
|
CB
|
A:LEU150
|
5.0
|
46.9
|
1.0
|
|
Iron binding site 3 out
of 9 in 7m8i
Go back to
Iron Binding Sites List in 7m8i
Iron binding site 3 out
of 9 in the Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe1602
b:31.7
occ:1.00
|
FE
|
A:HEM1602
|
0.0
|
31.7
|
1.0
|
NC
|
A:HEM1602
|
2.0
|
30.6
|
1.0
|
NA
|
A:HEM1602
|
2.0
|
33.0
|
1.0
|
ND
|
A:HEM1602
|
2.0
|
33.4
|
1.0
|
NB
|
A:HEM1602
|
2.0
|
31.7
|
1.0
|
N06
|
A:0T31603
|
2.3
|
27.1
|
1.0
|
SG
|
A:CYS1450
|
2.6
|
44.8
|
1.0
|
H6
|
A:0T31603
|
2.8
|
34.3
|
1.0
|
C05
|
A:0T31603
|
2.9
|
28.2
|
1.0
|
C4C
|
A:HEM1602
|
3.0
|
30.8
|
1.0
|
C1D
|
A:HEM1602
|
3.0
|
26.8
|
1.0
|
C1C
|
A:HEM1602
|
3.0
|
28.4
|
1.0
|
C4A
|
A:HEM1602
|
3.0
|
24.8
|
1.0
|
C1A
|
A:HEM1602
|
3.0
|
37.1
|
1.0
|
C4D
|
A:HEM1602
|
3.0
|
28.9
|
1.0
|
C4B
|
A:HEM1602
|
3.0
|
31.1
|
1.0
|
C1B
|
A:HEM1602
|
3.0
|
27.9
|
1.0
|
HB2
|
A:CYS1450
|
3.1
|
41.5
|
1.0
|
CHD
|
A:HEM1602
|
3.4
|
29.9
|
1.0
|
CHB
|
A:HEM1602
|
3.4
|
23.2
|
1.0
|
CHC
|
A:HEM1602
|
3.4
|
26.8
|
1.0
|
CHA
|
A:HEM1602
|
3.4
|
27.6
|
1.0
|
CB
|
A:CYS1450
|
3.4
|
34.1
|
1.0
|
C07
|
A:0T31603
|
3.6
|
34.7
|
1.0
|
H7
|
A:0T31603
|
3.8
|
42.2
|
1.0
|
HA
|
A:CYS1450
|
3.9
|
43.0
|
1.0
|
HB3
|
A:CYS1450
|
4.2
|
41.5
|
1.0
|
C3C
|
A:HEM1602
|
4.2
|
26.5
|
1.0
|
C2C
|
A:HEM1602
|
4.2
|
31.6
|
1.0
|
C2D
|
A:HEM1602
|
4.2
|
26.8
|
1.0
|
C3A
|
A:HEM1602
|
4.2
|
25.3
|
1.0
|
C2A
|
A:HEM1602
|
4.2
|
28.3
|
1.0
|
C3D
|
A:HEM1602
|
4.2
|
28.3
|
1.0
|
CA
|
A:CYS1450
|
4.2
|
35.4
|
1.0
|
C3B
|
A:HEM1602
|
4.3
|
27.6
|
1.0
|
C2B
|
A:HEM1602
|
4.3
|
22.1
|
1.0
|
HHD
|
A:HEM1602
|
4.3
|
36.5
|
1.0
|
N04
|
A:0T31603
|
4.3
|
32.9
|
1.0
|
H
|
A:GLY1452
|
4.3
|
37.5
|
1.0
|
HHB
|
A:HEM1602
|
4.3
|
28.4
|
1.0
|
HHC
|
A:HEM1602
|
4.4
|
32.7
|
1.0
|
HHA
|
A:HEM1602
|
4.4
|
33.6
|
1.0
|
HG1
|
A:THR1318
|
4.5
|
54.9
|
1.0
|
HD2
|
A:PHE1443
|
4.6
|
36.8
|
1.0
|
C08
|
A:0T31603
|
4.6
|
27.1
|
1.0
|
H
|
A:LEU1451
|
4.6
|
27.2
|
1.0
|
HG21
|
A:THR1318
|
4.8
|
55.3
|
1.0
|
HE2
|
A:PHE1130
|
4.9
|
44.7
|
1.0
|
|
Iron binding site 4 out
of 9 in 7m8i
Go back to
Iron Binding Sites List in 7m8i
Iron binding site 4 out
of 9 in the Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe1601
b:55.8
occ:1.00
|
FE1
|
B:FES1601
|
0.0
|
55.8
|
1.0
|
S1
|
B:FES1601
|
2.2
|
63.4
|
1.0
|
S2
|
B:FES1601
|
2.2
|
43.6
|
1.0
|
SG
|
B:CYS106
|
2.2
|
69.8
|
1.0
|
SG
|
B:CYS112
|
2.8
|
57.5
|
1.0
|
FE2
|
B:FES1601
|
2.9
|
49.4
|
1.0
|
H
|
B:CYS112
|
3.0
|
85.3
|
1.0
|
H
|
B:LEU110
|
3.1
|
58.5
|
1.0
|
HG
|
B:CYS112
|
3.1
|
69.6
|
1.0
|
H
|
B:ALA111
|
3.2
|
70.9
|
1.0
|
H
|
B:THR109
|
3.4
|
84.9
|
1.0
|
HB3
|
B:CYS106
|
3.5
|
84.5
|
1.0
|
CB
|
B:CYS106
|
3.5
|
69.9
|
1.0
|
HB3
|
B:CYS112
|
3.6
|
70.3
|
1.0
|
HA
|
B:LEU110
|
3.6
|
67.1
|
1.0
|
N
|
B:CYS112
|
3.7
|
70.7
|
1.0
|
N
|
B:LEU110
|
3.7
|
48.3
|
1.0
|
CB
|
B:CYS112
|
3.7
|
58.1
|
1.0
|
H
|
B:CYS106
|
3.8
|
81.7
|
1.0
|
H
|
B:GLY108
|
3.8
|
66.9
|
1.0
|
N
|
B:ALA111
|
3.9
|
58.6
|
1.0
|
CA
|
B:LEU110
|
4.1
|
55.5
|
1.0
|
CA
|
B:CYS112
|
4.1
|
66.2
|
1.0
|
N
|
B:THR109
|
4.1
|
70.3
|
1.0
|
HA2
|
B:GLY108
|
4.1
|
67.6
|
1.0
|
C
|
B:CYS112
|
4.3
|
67.4
|
1.0
|
HB2
|
B:CYS106
|
4.3
|
84.5
|
1.0
|
O
|
B:CYS112
|
4.3
|
73.8
|
1.0
|
CA
|
B:CYS106
|
4.4
|
64.6
|
1.0
|
N
|
B:GLY108
|
4.4
|
55.3
|
1.0
|
N
|
B:CYS106
|
4.4
|
67.6
|
1.0
|
C
|
B:LEU110
|
4.4
|
55.8
|
1.0
|
HB2
|
B:CYS152
|
4.5
|
68.0
|
1.0
|
HA2
|
B:GLY104
|
4.5
|
71.8
|
1.0
|
C
|
B:THR109
|
4.5
|
55.0
|
1.0
|
C
|
B:CYS106
|
4.5
|
56.0
|
1.0
|
CA
|
B:GLY108
|
4.6
|
55.9
|
1.0
|
C
|
B:ALA111
|
4.6
|
57.5
|
1.0
|
HB2
|
B:CYS112
|
4.6
|
70.3
|
1.0
|
SG
|
B:CYS115
|
4.7
|
68.4
|
1.0
|
HG1
|
B:THR114
|
4.8
|
73.1
|
1.0
|
HB3
|
B:CYS115
|
4.8
|
40.8
|
1.0
|
HD23
|
B:LEU110
|
4.8
|
69.7
|
1.0
|
C
|
B:GLY108
|
4.8
|
64.0
|
1.0
|
O
|
B:CYS106
|
4.8
|
64.8
|
1.0
|
CA
|
B:ALA111
|
4.8
|
52.3
|
1.0
|
H
|
B:CYS115
|
4.8
|
66.7
|
1.0
|
CA
|
B:THR109
|
4.9
|
59.6
|
1.0
|
HB3
|
B:CYS152
|
4.9
|
68.0
|
1.0
|
HB3
|
B:ALA111
|
5.0
|
78.3
|
1.0
|
HA
|
B:SER113
|
5.0
|
65.5
|
1.0
|
N
|
B:GLU107
|
5.0
|
45.2
|
1.0
|
N
|
B:SER113
|
5.0
|
65.5
|
1.0
|
|
Iron binding site 5 out
of 9 in 7m8i
Go back to
Iron Binding Sites List in 7m8i
Iron binding site 5 out
of 9 in the Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe1601
b:49.4
occ:1.00
|
FE2
|
B:FES1601
|
0.0
|
49.4
|
1.0
|
HB2
|
B:CYS152
|
2.1
|
68.0
|
1.0
|
S2
|
B:FES1601
|
2.2
|
43.6
|
1.0
|
S1
|
B:FES1601
|
2.2
|
63.4
|
1.0
|
HB3
|
B:CYS152
|
2.4
|
68.0
|
1.0
|
CB
|
B:CYS152
|
2.6
|
56.2
|
1.0
|
SG
|
B:CYS115
|
2.7
|
68.4
|
1.0
|
FE1
|
B:FES1601
|
2.9
|
55.8
|
1.0
|
HB3
|
B:CYS115
|
3.0
|
40.8
|
1.0
|
H
|
B:CYS152
|
3.3
|
66.7
|
1.0
|
CB
|
B:CYS115
|
3.4
|
33.5
|
1.0
|
SG
|
B:CYS152
|
3.7
|
100.3
|
1.0
|
HA2
|
B:GLY108
|
3.7
|
67.6
|
1.0
|
HB2
|
B:CYS115
|
3.7
|
40.8
|
1.0
|
HB3
|
B:LEU150
|
3.8
|
65.9
|
1.0
|
CA
|
B:CYS152
|
3.8
|
58.8
|
1.0
|
N
|
B:CYS152
|
3.9
|
55.1
|
1.0
|
HD23
|
B:LEU110
|
4.0
|
69.7
|
1.0
|
H
|
B:LEU110
|
4.0
|
58.5
|
1.0
|
H
|
B:CYS115
|
4.2
|
66.7
|
1.0
|
HG
|
B:CYS112
|
4.2
|
69.6
|
1.0
|
HA
|
B:CYS152
|
4.2
|
71.2
|
1.0
|
HA
|
B:LEU110
|
4.3
|
67.1
|
1.0
|
HD12
|
B:LEU90
|
4.3
|
72.8
|
1.0
|
H
|
B:GLY108
|
4.4
|
66.9
|
1.0
|
OE1
|
B:GLN153
|
4.5
|
66.5
|
1.0
|
HG
|
B:CYS152
|
4.6
|
120.9
|
1.0
|
SG
|
B:CYS112
|
4.6
|
57.5
|
1.0
|
CA
|
B:GLY108
|
4.6
|
55.9
|
1.0
|
HD13
|
B:LEU90
|
4.7
|
72.8
|
1.0
|
CA
|
B:CYS115
|
4.7
|
51.9
|
1.0
|
CB
|
B:LEU150
|
4.7
|
54.4
|
1.0
|
HA2
|
B:GLY104
|
4.8
|
71.8
|
1.0
|
N
|
B:LEU110
|
4.8
|
48.3
|
1.0
|
N
|
B:CYS115
|
4.8
|
55.1
|
1.0
|
H
|
B:THR109
|
4.8
|
84.9
|
1.0
|
HD12
|
B:LEU150
|
4.8
|
73.1
|
1.0
|
SG
|
B:CYS106
|
4.9
|
69.8
|
1.0
|
HD13
|
B:LEU150
|
4.9
|
73.1
|
1.0
|
HD22
|
B:LEU150
|
4.9
|
64.0
|
1.0
|
CD2
|
B:LEU110
|
4.9
|
57.6
|
1.0
|
N
|
B:GLY108
|
4.9
|
55.3
|
1.0
|
CD1
|
B:LEU90
|
5.0
|
60.2
|
1.0
|
C
|
B:CYS152
|
5.0
|
59.4
|
1.0
|
H
|
B:GLN153
|
5.0
|
67.1
|
1.0
|
|
Iron binding site 6 out
of 9 in 7m8i
Go back to
Iron Binding Sites List in 7m8i
Iron binding site 6 out
of 9 in the Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe1602
b:43.1
occ:1.00
|
FE
|
B:HEM1602
|
0.0
|
43.1
|
1.0
|
NC
|
B:HEM1602
|
2.0
|
23.1
|
1.0
|
NA
|
B:HEM1602
|
2.0
|
42.4
|
1.0
|
ND
|
B:HEM1602
|
2.0
|
33.7
|
1.0
|
NB
|
B:HEM1602
|
2.0
|
35.1
|
1.0
|
N06
|
B:0T31603
|
2.3
|
40.1
|
1.0
|
SG
|
B:CYS1450
|
2.6
|
44.6
|
1.0
|
C4C
|
B:HEM1602
|
3.0
|
31.3
|
1.0
|
C1D
|
B:HEM1602
|
3.0
|
33.9
|
1.0
|
C1C
|
B:HEM1602
|
3.0
|
25.8
|
1.0
|
C4A
|
B:HEM1602
|
3.0
|
41.4
|
1.0
|
C1A
|
B:HEM1602
|
3.0
|
43.9
|
1.0
|
C4D
|
B:HEM1602
|
3.0
|
40.6
|
1.0
|
C4B
|
B:HEM1602
|
3.0
|
33.1
|
1.0
|
C1B
|
B:HEM1602
|
3.0
|
34.2
|
1.0
|
HB2
|
B:CYS1450
|
3.1
|
58.6
|
1.0
|
H6
|
B:0T31603
|
3.2
|
53.7
|
1.0
|
C05
|
B:0T31603
|
3.2
|
44.3
|
1.0
|
CHD
|
B:HEM1602
|
3.4
|
33.6
|
1.0
|
CHB
|
B:HEM1602
|
3.4
|
38.5
|
1.0
|
CHC
|
B:HEM1602
|
3.4
|
27.0
|
1.0
|
CHA
|
B:HEM1602
|
3.4
|
37.5
|
1.0
|
CB
|
B:CYS1450
|
3.4
|
48.4
|
1.0
|
C07
|
B:0T31603
|
3.5
|
47.3
|
1.0
|
H7
|
B:0T31603
|
3.6
|
57.4
|
1.0
|
HA
|
B:CYS1450
|
3.9
|
56.7
|
1.0
|
HB3
|
B:CYS1450
|
4.2
|
58.6
|
1.0
|
C3C
|
B:HEM1602
|
4.2
|
37.6
|
1.0
|
C2C
|
B:HEM1602
|
4.2
|
35.7
|
1.0
|
C2D
|
B:HEM1602
|
4.2
|
35.8
|
1.0
|
C3A
|
B:HEM1602
|
4.2
|
32.3
|
1.0
|
C2A
|
B:HEM1602
|
4.2
|
34.0
|
1.0
|
C3D
|
B:HEM1602
|
4.2
|
37.2
|
1.0
|
CA
|
B:CYS1450
|
4.2
|
46.8
|
1.0
|
C3B
|
B:HEM1602
|
4.3
|
25.7
|
1.0
|
C2B
|
B:HEM1602
|
4.3
|
31.7
|
1.0
|
HHD
|
B:HEM1602
|
4.3
|
40.9
|
1.0
|
H
|
B:GLY1452
|
4.3
|
50.8
|
1.0
|
HHB
|
B:HEM1602
|
4.3
|
46.8
|
1.0
|
HHC
|
B:HEM1602
|
4.4
|
33.0
|
1.0
|
HHA
|
B:HEM1602
|
4.4
|
45.5
|
1.0
|
N04
|
B:0T31603
|
4.5
|
47.3
|
1.0
|
HG1
|
B:THR1318
|
4.5
|
62.8
|
1.0
|
HD2
|
B:PHE1443
|
4.6
|
55.8
|
1.0
|
C08
|
B:0T31603
|
4.6
|
42.4
|
1.0
|
H
|
B:LEU1451
|
4.6
|
35.5
|
1.0
|
HG21
|
B:THR1318
|
4.8
|
51.2
|
1.0
|
HE2
|
B:PHE1130
|
4.9
|
45.6
|
1.0
|
|
Iron binding site 7 out
of 9 in 7m8i
Go back to
Iron Binding Sites List in 7m8i
Iron binding site 7 out
of 9 in the Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe1601
b:70.8
occ:1.00
|
FE1
|
C:FES1601
|
0.0
|
70.8
|
1.0
|
HG
|
C:CYS112
|
2.1
|
86.4
|
1.0
|
S1
|
C:FES1601
|
2.2
|
53.5
|
1.0
|
S2
|
C:FES1601
|
2.2
|
82.9
|
1.0
|
SG
|
C:CYS112
|
2.4
|
71.6
|
1.0
|
SG
|
C:CYS106
|
2.5
|
67.5
|
1.0
|
FE2
|
C:FES1601
|
2.9
|
83.2
|
1.0
|
H
|
C:CYS106
|
3.1
|
74.4
|
1.0
|
HB3
|
C:CYS106
|
3.3
|
65.5
|
1.0
|
H
|
C:GLY108
|
3.3
|
67.2
|
1.0
|
HA2
|
C:GLY104
|
3.3
|
96.6
|
1.0
|
CB
|
C:CYS106
|
3.5
|
54.1
|
1.0
|
HA2
|
C:GLY108
|
3.8
|
69.0
|
1.0
|
H
|
C:THR109
|
3.9
|
81.5
|
1.0
|
N
|
C:CYS106
|
3.9
|
61.5
|
1.0
|
CB
|
C:CYS112
|
4.0
|
59.8
|
1.0
|
HG1
|
C:THR114
|
4.0
|
95.5
|
1.0
|
N
|
C:GLY108
|
4.1
|
55.5
|
1.0
|
HG
|
C:CYS152
|
4.1
|
133.6
|
1.0
|
CA
|
C:CYS106
|
4.1
|
63.3
|
1.0
|
H
|
C:LEU110
|
4.1
|
74.9
|
1.0
|
HB3
|
C:CYS115
|
4.1
|
86.9
|
1.0
|
H
|
C:ALA111
|
4.2
|
82.2
|
1.0
|
H
|
C:CYS112
|
4.2
|
93.8
|
1.0
|
CA
|
C:GLY104
|
4.2
|
80.0
|
1.0
|
HB3
|
C:CYS112
|
4.2
|
72.2
|
1.0
|
SG
|
C:CYS115
|
4.3
|
105.1
|
1.0
|
HB2
|
C:CYS106
|
4.3
|
65.5
|
1.0
|
O
|
C:CYS112
|
4.3
|
88.3
|
1.0
|
C
|
C:GLY104
|
4.4
|
81.9
|
1.0
|
H
|
C:THR114
|
4.4
|
83.0
|
1.0
|
H
|
C:ALA105
|
4.4
|
90.5
|
1.0
|
CA
|
C:GLY108
|
4.4
|
57.1
|
1.0
|
N
|
C:CYS112
|
4.4
|
77.7
|
1.0
|
C
|
C:CYS112
|
4.5
|
75.5
|
1.0
|
OG1
|
C:THR114
|
4.5
|
79.1
|
1.0
|
C
|
C:CYS106
|
4.5
|
66.5
|
1.0
|
N
|
C:ALA105
|
4.5
|
74.9
|
1.0
|
CA
|
C:CYS112
|
4.5
|
64.2
|
1.0
|
H
|
C:GLU107
|
4.5
|
80.7
|
1.0
|
HB3
|
C:CYS152
|
4.6
|
102.9
|
1.0
|
HA3
|
C:GLY104
|
4.6
|
96.6
|
1.0
|
N
|
C:THR109
|
4.6
|
67.5
|
1.0
|
N
|
C:GLU107
|
4.6
|
66.8
|
1.0
|
HA
|
C:LEU110
|
4.6
|
77.2
|
1.0
|
HB2
|
C:CYS112
|
4.6
|
72.2
|
1.0
|
SG
|
C:CYS152
|
4.8
|
110.8
|
1.0
|
CB
|
C:CYS115
|
4.8
|
72.0
|
1.0
|
N
|
C:LEU110
|
4.8
|
61.9
|
1.0
|
H
|
C:CYS115
|
4.8
|
98.2
|
1.0
|
O
|
C:GLY104
|
4.8
|
79.1
|
1.0
|
N
|
C:ALA111
|
4.9
|
68.1
|
1.0
|
HG1
|
C:THR109
|
5.0
|
85.2
|
1.0
|
|
Iron binding site 8 out
of 9 in 7m8i
Go back to
Iron Binding Sites List in 7m8i
Iron binding site 8 out
of 9 in the Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe1601
b:83.2
occ:1.00
|
FE2
|
C:FES1601
|
0.0
|
83.2
|
1.0
|
S1
|
C:FES1601
|
2.2
|
53.5
|
1.0
|
S2
|
C:FES1601
|
2.2
|
82.9
|
1.0
|
SG
|
C:CYS115
|
2.3
|
105.1
|
1.0
|
SG
|
C:CYS152
|
2.4
|
110.8
|
1.0
|
HG
|
C:CYS152
|
2.6
|
133.6
|
1.0
|
HB3
|
C:CYS152
|
2.6
|
102.9
|
1.0
|
FE1
|
C:FES1601
|
2.9
|
70.8
|
1.0
|
CB
|
C:CYS152
|
3.0
|
85.3
|
1.0
|
HB3
|
C:CYS115
|
3.1
|
86.9
|
1.0
|
H
|
C:CYS152
|
3.3
|
96.5
|
1.0
|
CB
|
C:CYS115
|
3.3
|
72.0
|
1.0
|
HB3
|
C:LEU150
|
3.5
|
102.8
|
1.0
|
HB2
|
C:CYS115
|
3.6
|
86.9
|
1.0
|
HG
|
C:CYS112
|
3.7
|
86.4
|
1.0
|
HB2
|
C:CYS152
|
3.7
|
102.9
|
1.0
|
N
|
C:CYS152
|
4.0
|
80.0
|
1.0
|
HA2
|
C:GLY108
|
4.0
|
69.0
|
1.0
|
HD13
|
C:LEU150
|
4.0
|
84.4
|
1.0
|
HD22
|
C:LEU150
|
4.0
|
87.6
|
1.0
|
CA
|
C:CYS152
|
4.1
|
78.6
|
1.0
|
HD23
|
C:LEU110
|
4.2
|
90.0
|
1.0
|
H
|
C:CYS115
|
4.3
|
98.2
|
1.0
|
CB
|
C:LEU150
|
4.4
|
85.2
|
1.0
|
H
|
C:LEU110
|
4.5
|
74.9
|
1.0
|
HA2
|
C:GLY104
|
4.5
|
96.6
|
1.0
|
HA
|
C:LEU110
|
4.6
|
77.2
|
1.0
|
HD22
|
C:LEU90
|
4.6
|
97.2
|
1.0
|
CA
|
C:CYS115
|
4.6
|
84.5
|
1.0
|
C
|
C:CYS152
|
4.7
|
65.0
|
1.0
|
CD1
|
C:LEU150
|
4.7
|
69.9
|
1.0
|
SG
|
C:CYS112
|
4.8
|
71.6
|
1.0
|
N
|
C:CYS115
|
4.8
|
81.3
|
1.0
|
CD2
|
C:LEU150
|
4.8
|
72.5
|
1.0
|
SG
|
C:CYS106
|
4.8
|
67.5
|
1.0
|
HD12
|
C:LEU150
|
4.8
|
84.4
|
1.0
|
HB2
|
C:LEU150
|
4.9
|
102.8
|
1.0
|
CG
|
C:LEU150
|
4.9
|
70.5
|
1.0
|
H
|
C:GLY108
|
4.9
|
67.2
|
1.0
|
HA
|
C:CYS152
|
4.9
|
94.9
|
1.0
|
CA
|
C:GLY108
|
4.9
|
57.1
|
1.0
|
O
|
C:CYS112
|
5.0
|
88.3
|
1.0
|
H
|
C:GLY151
|
5.0
|
88.3
|
1.0
|
|
Iron binding site 9 out
of 9 in 7m8i
Go back to
Iron Binding Sites List in 7m8i
Iron binding site 9 out
of 9 in the Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Human CYP11B2 and Human Adrenodoxin in Complex with Fadrozole within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe1602
b:38.2
occ:1.00
|
FE
|
C:HEM1602
|
0.0
|
38.2
|
1.0
|
NC
|
C:HEM1602
|
1.9
|
36.4
|
1.0
|
ND
|
C:HEM1602
|
2.0
|
36.5
|
1.0
|
NB
|
C:HEM1602
|
2.0
|
31.0
|
1.0
|
NA
|
C:HEM1602
|
2.1
|
45.8
|
1.0
|
N06
|
C:0T31603
|
2.3
|
37.8
|
1.0
|
SG
|
C:CYS1450
|
2.7
|
47.4
|
1.0
|
C1C
|
C:HEM1602
|
3.0
|
39.5
|
1.0
|
C4C
|
C:HEM1602
|
3.0
|
37.0
|
1.0
|
C1D
|
C:HEM1602
|
3.0
|
33.4
|
1.0
|
C4B
|
C:HEM1602
|
3.0
|
36.8
|
1.0
|
C4D
|
C:HEM1602
|
3.1
|
32.2
|
1.0
|
C1B
|
C:HEM1602
|
3.1
|
33.0
|
1.0
|
C4A
|
C:HEM1602
|
3.1
|
29.2
|
1.0
|
C1A
|
C:HEM1602
|
3.1
|
37.3
|
1.0
|
H6
|
C:0T31603
|
3.2
|
49.8
|
1.0
|
C05
|
C:0T31603
|
3.2
|
41.0
|
1.0
|
HB2
|
C:CYS1450
|
3.2
|
46.3
|
1.0
|
CHD
|
C:HEM1602
|
3.4
|
34.7
|
1.0
|
CHC
|
C:HEM1602
|
3.4
|
43.3
|
1.0
|
CB
|
C:CYS1450
|
3.4
|
38.1
|
1.0
|
C07
|
C:0T31603
|
3.5
|
46.8
|
1.0
|
CHB
|
C:HEM1602
|
3.5
|
27.4
|
1.0
|
CHA
|
C:HEM1602
|
3.5
|
38.9
|
1.0
|
H7
|
C:0T31603
|
3.6
|
56.8
|
1.0
|
HA
|
C:CYS1450
|
3.7
|
49.8
|
1.0
|
CA
|
C:CYS1450
|
4.2
|
41.0
|
1.0
|
C2C
|
C:HEM1602
|
4.2
|
25.2
|
1.0
|
C3C
|
C:HEM1602
|
4.2
|
29.5
|
1.0
|
H
|
C:GLY1452
|
4.2
|
45.3
|
1.0
|
HB3
|
C:CYS1450
|
4.2
|
46.3
|
1.0
|
C2D
|
C:HEM1602
|
4.2
|
30.4
|
1.0
|
C3B
|
C:HEM1602
|
4.3
|
35.7
|
1.0
|
C3D
|
C:HEM1602
|
4.3
|
29.7
|
1.0
|
C2B
|
C:HEM1602
|
4.3
|
36.2
|
1.0
|
HHD
|
C:HEM1602
|
4.3
|
42.2
|
1.0
|
HHC
|
C:HEM1602
|
4.3
|
52.5
|
1.0
|
C3A
|
C:HEM1602
|
4.3
|
40.6
|
1.0
|
H
|
C:LEU1451
|
4.3
|
55.6
|
1.0
|
C2A
|
C:HEM1602
|
4.4
|
35.8
|
1.0
|
HHB
|
C:HEM1602
|
4.4
|
33.5
|
1.0
|
HD2
|
C:PHE1443
|
4.4
|
42.1
|
1.0
|
N04
|
C:0T31603
|
4.4
|
47.2
|
1.0
|
HHA
|
C:HEM1602
|
4.5
|
47.2
|
1.0
|
C08
|
C:0T31603
|
4.6
|
37.2
|
1.0
|
HE1
|
C:PHE1130
|
4.7
|
46.3
|
1.0
|
HG21
|
C:THR1318
|
4.7
|
51.4
|
1.0
|
N
|
C:LEU1451
|
4.8
|
45.9
|
1.0
|
C
|
C:CYS1450
|
4.9
|
48.4
|
1.0
|
|
Reference:
S.Brixius-Anderko,
E.E.Scott.
Structural and Functional Insights Into Aldosterone Synthase Interaction with Its Redox Partner Protein Adrenodoxin J.Biol.Chem. 2021.
ISSN: ESSN 1083-351X
Page generated: Thu Aug 8 08:16:49 2024
|