Iron in PDB 4fdh: Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole
Enzymatic activity of Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole
All present enzymatic activity of Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole:
1.14.15.4;
1.14.15.5;
Protein crystallography data
The structure of Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole, PDB code: 4fdh
was solved by
N.Strushkevich,
L.Shen,
W.Tempel,
C.Arrowsmith,
A.Edwards,
S.A.Usanov,
H.-W.Park,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
48.89 /
2.71
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
129.751,
199.086,
150.018,
90.00,
112.08,
90.00
|
|
R / Rfree (%)
|
22.4 /
30
|
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Iron atom in the Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole
(pdb code 4fdh). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the
Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole, PDB code: 4fdh:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 12 in 4fdh
Go back to
Iron Binding Sites List in 4fdh
Iron binding site 1 out
of 12 in the Structure of Human Aldosterone Synthase, CYP11B2, 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 Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:41.2
occ:1.00
|
FE
|
A:HEM601
|
0.0
|
41.2
|
1.0
|
|
N06
|
A:0T3602
|
1.9
|
42.1
|
1.0
|
|
NB
|
A:HEM601
|
2.0
|
40.9
|
1.0
|
|
ND
|
A:HEM601
|
2.1
|
41.5
|
1.0
|
|
NC
|
A:HEM601
|
2.1
|
43.0
|
1.0
|
|
NA
|
A:HEM601
|
2.1
|
42.9
|
1.0
|
|
SG
|
A:CYS450
|
2.1
|
39.9
|
1.0
|
|
C07
|
A:0T3602
|
2.8
|
43.0
|
1.0
|
|
C05
|
A:0T3602
|
3.0
|
42.6
|
1.0
|
|
C4B
|
A:HEM601
|
3.0
|
41.8
|
1.0
|
|
C1B
|
A:HEM601
|
3.0
|
41.3
|
1.0
|
|
C4D
|
A:HEM601
|
3.1
|
42.5
|
1.0
|
|
C1C
|
A:HEM601
|
3.1
|
43.0
|
1.0
|
|
C1A
|
A:HEM601
|
3.1
|
43.8
|
1.0
|
|
C1D
|
A:HEM601
|
3.1
|
41.5
|
1.0
|
|
C4C
|
A:HEM601
|
3.1
|
42.4
|
1.0
|
|
C4A
|
A:HEM601
|
3.1
|
42.9
|
1.0
|
|
CB
|
A:CYS450
|
3.3
|
43.0
|
1.0
|
|
CHC
|
A:HEM601
|
3.4
|
42.8
|
1.0
|
|
CHA
|
A:HEM601
|
3.4
|
43.1
|
1.0
|
|
CHB
|
A:HEM601
|
3.5
|
42.6
|
1.0
|
|
CHD
|
A:HEM601
|
3.5
|
42.4
|
1.0
|
|
C08
|
A:0T3602
|
4.0
|
42.2
|
1.0
|
|
N04
|
A:0T3602
|
4.1
|
42.2
|
1.0
|
|
CA
|
A:CYS450
|
4.1
|
43.0
|
1.0
|
|
C3B
|
A:HEM601
|
4.2
|
41.7
|
1.0
|
|
C2B
|
A:HEM601
|
4.2
|
40.8
|
1.0
|
|
C2C
|
A:HEM601
|
4.3
|
43.7
|
1.0
|
|
C3C
|
A:HEM601
|
4.3
|
43.7
|
1.0
|
|
C3D
|
A:HEM601
|
4.3
|
40.8
|
1.0
|
|
C3A
|
A:HEM601
|
4.3
|
43.6
|
1.0
|
|
C2A
|
A:HEM601
|
4.3
|
44.5
|
1.0
|
|
C2D
|
A:HEM601
|
4.3
|
39.9
|
1.0
|
|
C
|
A:CYS450
|
4.8
|
43.6
|
1.0
|
|
CD2
|
A:PHE443
|
5.0
|
43.2
|
1.0
|
|
Iron binding site 2 out
of 12 in 4fdh
Go back to
Iron Binding Sites List in 4fdh
Iron binding site 2 out
of 12 in the Structure of Human Aldosterone Synthase, CYP11B2, 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 Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:49.1
occ:1.00
|
FE
|
B:HEM601
|
0.0
|
49.1
|
1.0
|
|
N06
|
B:0T3602
|
1.8
|
52.3
|
1.0
|
|
NB
|
B:HEM601
|
2.0
|
46.8
|
1.0
|
|
ND
|
B:HEM601
|
2.0
|
47.6
|
1.0
|
|
NA
|
B:HEM601
|
2.1
|
49.3
|
1.0
|
|
NC
|
B:HEM601
|
2.1
|
48.5
|
1.0
|
|
SG
|
B:CYS450
|
2.1
|
53.0
|
1.0
|
|
C07
|
B:0T3602
|
2.8
|
52.0
|
1.0
|
|
C05
|
B:0T3602
|
2.9
|
53.4
|
1.0
|
|
C4C
|
B:HEM601
|
3.0
|
48.4
|
1.0
|
|
C1B
|
B:HEM601
|
3.0
|
46.8
|
1.0
|
|
C1D
|
B:HEM601
|
3.0
|
47.7
|
1.0
|
|
C4A
|
B:HEM601
|
3.0
|
49.0
|
1.0
|
|
C4B
|
B:HEM601
|
3.1
|
47.2
|
1.0
|
|
C4D
|
B:HEM601
|
3.1
|
48.4
|
1.0
|
|
C1A
|
B:HEM601
|
3.1
|
50.7
|
1.0
|
|
C1C
|
B:HEM601
|
3.1
|
47.8
|
1.0
|
|
CB
|
B:CYS450
|
3.3
|
55.0
|
1.0
|
|
CHD
|
B:HEM601
|
3.3
|
48.6
|
1.0
|
|
CHB
|
B:HEM601
|
3.4
|
47.7
|
1.0
|
|
CHC
|
B:HEM601
|
3.5
|
48.6
|
1.0
|
|
CHA
|
B:HEM601
|
3.5
|
48.6
|
1.0
|
|
C08
|
B:0T3602
|
4.0
|
52.2
|
1.0
|
|
N04
|
B:0T3602
|
4.0
|
52.6
|
1.0
|
|
CA
|
B:CYS450
|
4.1
|
54.9
|
1.0
|
|
C3C
|
B:HEM601
|
4.2
|
49.1
|
1.0
|
|
C2B
|
B:HEM601
|
4.2
|
46.1
|
1.0
|
|
C3B
|
B:HEM601
|
4.2
|
46.8
|
1.0
|
|
C3A
|
B:HEM601
|
4.3
|
51.3
|
1.0
|
|
C2D
|
B:HEM601
|
4.3
|
47.3
|
1.0
|
|
C2C
|
B:HEM601
|
4.3
|
47.6
|
1.0
|
|
C2A
|
B:HEM601
|
4.3
|
52.1
|
1.0
|
|
C3D
|
B:HEM601
|
4.3
|
47.7
|
1.0
|
|
C
|
B:CYS450
|
4.9
|
55.0
|
1.0
|
|
N
|
B:GLY452
|
5.0
|
55.3
|
1.0
|
|
Iron binding site 3 out
of 12 in 4fdh
Go back to
Iron Binding Sites List in 4fdh
Iron binding site 3 out
of 12 in the Structure of Human Aldosterone Synthase, CYP11B2, 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 Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe601
b:42.6
occ:1.00
|
FE
|
C:HEM601
|
0.0
|
42.6
|
1.0
|
|
N06
|
C:0T3602
|
1.9
|
52.4
|
1.0
|
|
NA
|
C:HEM601
|
2.0
|
42.0
|
1.0
|
|
NB
|
C:HEM601
|
2.0
|
41.3
|
1.0
|
|
NC
|
C:HEM601
|
2.0
|
41.2
|
1.0
|
|
ND
|
C:HEM601
|
2.1
|
41.7
|
1.0
|
|
SG
|
C:CYS450
|
2.2
|
52.7
|
1.0
|
|
C07
|
C:0T3602
|
2.7
|
52.1
|
1.0
|
|
C4A
|
C:HEM601
|
3.0
|
43.4
|
1.0
|
|
C1B
|
C:HEM601
|
3.0
|
41.8
|
1.0
|
|
C4B
|
C:HEM601
|
3.0
|
39.9
|
1.0
|
|
C4C
|
C:HEM601
|
3.0
|
42.2
|
1.0
|
|
C1A
|
C:HEM601
|
3.0
|
44.3
|
1.0
|
|
C1C
|
C:HEM601
|
3.1
|
40.5
|
1.0
|
|
C1D
|
C:HEM601
|
3.1
|
42.5
|
1.0
|
|
C05
|
C:0T3602
|
3.1
|
52.6
|
1.0
|
|
C4D
|
C:HEM601
|
3.1
|
42.3
|
1.0
|
|
CHB
|
C:HEM601
|
3.4
|
43.0
|
1.0
|
|
CB
|
C:CYS450
|
3.4
|
52.6
|
1.0
|
|
CHD
|
C:HEM601
|
3.4
|
42.8
|
1.0
|
|
CHC
|
C:HEM601
|
3.4
|
41.4
|
1.0
|
|
CHA
|
C:HEM601
|
3.5
|
42.7
|
1.0
|
|
C08
|
C:0T3602
|
4.0
|
51.6
|
1.0
|
|
CA
|
C:CYS450
|
4.1
|
52.4
|
1.0
|
|
N04
|
C:0T3602
|
4.2
|
51.4
|
1.0
|
|
C3A
|
C:HEM601
|
4.2
|
45.3
|
1.0
|
|
C3B
|
C:HEM601
|
4.2
|
39.1
|
1.0
|
|
C2A
|
C:HEM601
|
4.2
|
46.1
|
1.0
|
|
C2B
|
C:HEM601
|
4.3
|
41.0
|
1.0
|
|
C3C
|
C:HEM601
|
4.3
|
42.3
|
1.0
|
|
C2C
|
C:HEM601
|
4.3
|
41.4
|
1.0
|
|
C2D
|
C:HEM601
|
4.3
|
41.4
|
1.0
|
|
C3D
|
C:HEM601
|
4.4
|
41.9
|
1.0
|
|
C
|
C:CYS450
|
4.9
|
52.4
|
1.0
|
|
Iron binding site 4 out
of 12 in 4fdh
Go back to
Iron Binding Sites List in 4fdh
Iron binding site 4 out
of 12 in the Structure of Human Aldosterone Synthase, CYP11B2, 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 Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe601
b:43.7
occ:1.00
|
FE
|
D:HEM601
|
0.0
|
43.7
|
1.0
|
|
N06
|
D:0T3602
|
2.0
|
53.9
|
1.0
|
|
NC
|
D:HEM601
|
2.0
|
42.0
|
1.0
|
|
NA
|
D:HEM601
|
2.0
|
44.8
|
1.0
|
|
ND
|
D:HEM601
|
2.0
|
42.9
|
1.0
|
|
NB
|
D:HEM601
|
2.1
|
43.2
|
1.0
|
|
SG
|
D:CYS450
|
2.2
|
50.2
|
1.0
|
|
C07
|
D:0T3602
|
2.8
|
54.1
|
1.0
|
|
C4C
|
D:HEM601
|
3.0
|
43.7
|
1.0
|
|
C1D
|
D:HEM601
|
3.0
|
43.9
|
1.0
|
|
C4A
|
D:HEM601
|
3.0
|
44.7
|
1.0
|
|
C4B
|
D:HEM601
|
3.0
|
43.0
|
1.0
|
|
C1C
|
D:HEM601
|
3.1
|
41.4
|
1.0
|
|
C1A
|
D:HEM601
|
3.1
|
46.4
|
1.0
|
|
C1B
|
D:HEM601
|
3.1
|
42.8
|
1.0
|
|
C4D
|
D:HEM601
|
3.1
|
43.3
|
1.0
|
|
C05
|
D:0T3602
|
3.1
|
54.1
|
1.0
|
|
CB
|
D:CYS450
|
3.3
|
51.2
|
1.0
|
|
CHD
|
D:HEM601
|
3.4
|
43.9
|
1.0
|
|
CHC
|
D:HEM601
|
3.4
|
44.9
|
1.0
|
|
CHA
|
D:HEM601
|
3.4
|
44.4
|
1.0
|
|
CHB
|
D:HEM601
|
3.4
|
43.4
|
1.0
|
|
CA
|
D:CYS450
|
4.1
|
51.2
|
1.0
|
|
C08
|
D:0T3602
|
4.1
|
53.0
|
1.0
|
|
N04
|
D:0T3602
|
4.2
|
52.8
|
1.0
|
|
C3C
|
D:HEM601
|
4.2
|
44.0
|
1.0
|
|
C3A
|
D:HEM601
|
4.3
|
47.4
|
1.0
|
|
C3B
|
D:HEM601
|
4.3
|
41.3
|
1.0
|
|
C2A
|
D:HEM601
|
4.3
|
47.9
|
1.0
|
|
C2C
|
D:HEM601
|
4.3
|
43.8
|
1.0
|
|
C2D
|
D:HEM601
|
4.3
|
43.8
|
1.0
|
|
C2B
|
D:HEM601
|
4.3
|
42.3
|
1.0
|
|
C3D
|
D:HEM601
|
4.3
|
43.5
|
1.0
|
|
C
|
D:CYS450
|
4.8
|
51.3
|
1.0
|
|
N
|
D:GLY452
|
4.9
|
50.4
|
1.0
|
|
N
|
D:LEU451
|
5.0
|
50.9
|
1.0
|
|
Iron binding site 5 out
of 12 in 4fdh
Go back to
Iron Binding Sites List in 4fdh
Iron binding site 5 out
of 12 in the Structure of Human Aldosterone Synthase, CYP11B2, 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 Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe601
b:38.3
occ:1.00
|
FE
|
E:HEM601
|
0.0
|
38.3
|
1.0
|
|
NC
|
E:HEM601
|
2.0
|
34.9
|
1.0
|
|
ND
|
E:HEM601
|
2.0
|
35.6
|
1.0
|
|
N06
|
E:0T3602
|
2.0
|
57.3
|
1.0
|
|
NB
|
E:HEM601
|
2.0
|
33.7
|
1.0
|
|
NA
|
E:HEM601
|
2.0
|
35.4
|
1.0
|
|
SG
|
E:CYS450
|
2.2
|
53.3
|
1.0
|
|
C4C
|
E:HEM601
|
2.9
|
36.6
|
1.0
|
|
C07
|
E:0T3602
|
2.9
|
56.9
|
1.0
|
|
C1D
|
E:HEM601
|
3.0
|
34.8
|
1.0
|
|
C1B
|
E:HEM601
|
3.0
|
33.8
|
1.0
|
|
C4A
|
E:HEM601
|
3.0
|
35.1
|
1.0
|
|
C1C
|
E:HEM601
|
3.1
|
35.6
|
1.0
|
|
C4D
|
E:HEM601
|
3.1
|
37.0
|
1.0
|
|
C4B
|
E:HEM601
|
3.1
|
34.5
|
1.0
|
|
C1A
|
E:HEM601
|
3.1
|
38.3
|
1.0
|
|
C05
|
E:0T3602
|
3.1
|
56.9
|
1.0
|
|
CHD
|
E:HEM601
|
3.3
|
36.3
|
1.0
|
|
CHB
|
E:HEM601
|
3.4
|
33.9
|
1.0
|
|
CB
|
E:CYS450
|
3.4
|
54.5
|
1.0
|
|
CHC
|
E:HEM601
|
3.5
|
33.9
|
1.0
|
|
CHA
|
E:HEM601
|
3.5
|
36.1
|
1.0
|
|
C08
|
E:0T3602
|
4.2
|
55.7
|
1.0
|
|
CA
|
E:CYS450
|
4.2
|
54.4
|
1.0
|
|
C3C
|
E:HEM601
|
4.2
|
36.8
|
1.0
|
|
C2D
|
E:HEM601
|
4.2
|
33.6
|
1.0
|
|
N04
|
E:0T3602
|
4.2
|
55.4
|
1.0
|
|
C2C
|
E:HEM601
|
4.2
|
36.9
|
1.0
|
|
C3D
|
E:HEM601
|
4.3
|
36.3
|
1.0
|
|
C2B
|
E:HEM601
|
4.3
|
35.0
|
1.0
|
|
C3B
|
E:HEM601
|
4.3
|
35.0
|
1.0
|
|
C3A
|
E:HEM601
|
4.3
|
35.4
|
1.0
|
|
C2A
|
E:HEM601
|
4.3
|
38.8
|
1.0
|
|
N
|
E:GLY452
|
4.8
|
53.4
|
1.0
|
|
C
|
E:CYS450
|
4.9
|
54.3
|
1.0
|
|
N
|
E:LEU451
|
4.9
|
53.6
|
1.0
|
|
Iron binding site 6 out
of 12 in 4fdh
Go back to
Iron Binding Sites List in 4fdh
Iron binding site 6 out
of 12 in the Structure of Human Aldosterone Synthase, CYP11B2, 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 Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe601
b:44.2
occ:1.00
|
FE
|
F:HEM601
|
0.0
|
44.2
|
1.0
|
|
N06
|
F:0T3602
|
2.0
|
50.6
|
1.0
|
|
NA
|
F:HEM601
|
2.0
|
41.7
|
1.0
|
|
NC
|
F:HEM601
|
2.0
|
39.0
|
1.0
|
|
NB
|
F:HEM601
|
2.0
|
40.0
|
1.0
|
|
ND
|
F:HEM601
|
2.1
|
42.1
|
1.0
|
|
SG
|
F:CYS450
|
2.2
|
58.5
|
1.0
|
|
C07
|
F:0T3602
|
2.8
|
50.1
|
1.0
|
|
C4A
|
F:HEM601
|
3.0
|
42.0
|
1.0
|
|
C4C
|
F:HEM601
|
3.0
|
39.0
|
1.0
|
|
C1B
|
F:HEM601
|
3.0
|
37.9
|
1.0
|
|
C1D
|
F:HEM601
|
3.0
|
40.5
|
1.0
|
|
C1A
|
F:HEM601
|
3.1
|
42.5
|
1.0
|
|
C1C
|
F:HEM601
|
3.1
|
38.0
|
1.0
|
|
C4B
|
F:HEM601
|
3.1
|
39.5
|
1.0
|
|
C4D
|
F:HEM601
|
3.1
|
42.9
|
1.0
|
|
C05
|
F:0T3602
|
3.1
|
51.4
|
1.0
|
|
CHD
|
F:HEM601
|
3.3
|
38.7
|
1.0
|
|
CHB
|
F:HEM601
|
3.3
|
39.1
|
1.0
|
|
CB
|
F:CYS450
|
3.4
|
58.2
|
1.0
|
|
CHA
|
F:HEM601
|
3.5
|
41.2
|
1.0
|
|
CHC
|
F:HEM601
|
3.5
|
37.8
|
1.0
|
|
C08
|
F:0T3602
|
4.0
|
49.9
|
1.0
|
|
N04
|
F:0T3602
|
4.2
|
50.9
|
1.0
|
|
C3A
|
F:HEM601
|
4.2
|
42.2
|
1.0
|
|
C3C
|
F:HEM601
|
4.2
|
37.1
|
1.0
|
|
CA
|
F:CYS450
|
4.2
|
58.5
|
1.0
|
|
C2B
|
F:HEM601
|
4.3
|
38.2
|
1.0
|
|
C2C
|
F:HEM601
|
4.3
|
37.2
|
1.0
|
|
C2A
|
F:HEM601
|
4.3
|
44.4
|
1.0
|
|
C3B
|
F:HEM601
|
4.3
|
37.7
|
1.0
|
|
C2D
|
F:HEM601
|
4.3
|
40.7
|
1.0
|
|
C3D
|
F:HEM601
|
4.3
|
42.4
|
1.0
|
|
C
|
F:CYS450
|
5.0
|
57.8
|
1.0
|
|
N
|
F:GLY452
|
5.0
|
56.1
|
1.0
|
|
N
|
F:LEU451
|
5.0
|
56.9
|
1.0
|
|
Iron binding site 7 out
of 12 in 4fdh
Go back to
Iron Binding Sites List in 4fdh
Iron binding site 7 out
of 12 in the Structure of Human Aldosterone Synthase, CYP11B2, 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 Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe601
b:45.7
occ:1.00
|
FE
|
G:HEM601
|
0.0
|
45.7
|
1.0
|
|
N06
|
G:0T3602
|
2.0
|
46.1
|
1.0
|
|
NA
|
G:HEM601
|
2.0
|
46.0
|
1.0
|
|
NC
|
G:HEM601
|
2.0
|
46.6
|
1.0
|
|
NB
|
G:HEM601
|
2.1
|
46.4
|
1.0
|
|
ND
|
G:HEM601
|
2.1
|
45.8
|
1.0
|
|
SG
|
G:CYS450
|
2.4
|
57.2
|
1.0
|
|
C07
|
G:0T3602
|
2.8
|
47.8
|
1.0
|
|
C4C
|
G:HEM601
|
3.0
|
47.3
|
1.0
|
|
C1A
|
G:HEM601
|
3.0
|
47.5
|
1.0
|
|
C4A
|
G:HEM601
|
3.1
|
46.2
|
1.0
|
|
C1C
|
G:HEM601
|
3.1
|
47.1
|
1.0
|
|
C1D
|
G:HEM601
|
3.1
|
46.5
|
1.0
|
|
C4D
|
G:HEM601
|
3.1
|
46.3
|
1.0
|
|
C1B
|
G:HEM601
|
3.1
|
45.4
|
1.0
|
|
C4B
|
G:HEM601
|
3.1
|
45.7
|
1.0
|
|
C05
|
G:0T3602
|
3.1
|
48.6
|
1.0
|
|
CB
|
G:CYS450
|
3.3
|
57.3
|
1.0
|
|
CHD
|
G:HEM601
|
3.4
|
47.4
|
1.0
|
|
CHA
|
G:HEM601
|
3.4
|
47.0
|
1.0
|
|
CHB
|
G:HEM601
|
3.4
|
44.3
|
1.0
|
|
CHC
|
G:HEM601
|
3.4
|
46.9
|
1.0
|
|
C08
|
G:0T3602
|
4.1
|
47.7
|
1.0
|
|
CA
|
G:CYS450
|
4.1
|
57.0
|
1.0
|
|
N04
|
G:0T3602
|
4.2
|
48.3
|
1.0
|
|
C3C
|
G:HEM601
|
4.2
|
47.7
|
1.0
|
|
C2C
|
G:HEM601
|
4.3
|
47.5
|
1.0
|
|
C2A
|
G:HEM601
|
4.3
|
48.8
|
1.0
|
|
C3A
|
G:HEM601
|
4.3
|
48.4
|
1.0
|
|
C3D
|
G:HEM601
|
4.3
|
46.7
|
1.0
|
|
C3B
|
G:HEM601
|
4.3
|
45.6
|
1.0
|
|
C2B
|
G:HEM601
|
4.3
|
46.0
|
1.0
|
|
C2D
|
G:HEM601
|
4.3
|
47.6
|
1.0
|
|
C
|
G:CYS450
|
4.9
|
56.1
|
1.0
|
|
N
|
G:LEU451
|
4.9
|
55.6
|
1.0
|
|
N
|
G:GLY452
|
4.9
|
56.0
|
1.0
|
|
Iron binding site 8 out
of 12 in 4fdh
Go back to
Iron Binding Sites List in 4fdh
Iron binding site 8 out
of 12 in the Structure of Human Aldosterone Synthase, CYP11B2, 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 Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe601
b:43.5
occ:1.00
|
FE
|
H:HEM601
|
0.0
|
43.5
|
1.0
|
|
N06
|
H:0T3602
|
1.9
|
49.4
|
1.0
|
|
NC
|
H:HEM601
|
2.0
|
43.8
|
1.0
|
|
ND
|
H:HEM601
|
2.1
|
43.7
|
1.0
|
|
NA
|
H:HEM601
|
2.1
|
44.3
|
1.0
|
|
NB
|
H:HEM601
|
2.1
|
42.5
|
1.0
|
|
SG
|
H:CYS450
|
2.2
|
49.2
|
1.0
|
|
C07
|
H:0T3602
|
2.9
|
50.0
|
1.0
|
|
C05
|
H:0T3602
|
3.0
|
50.8
|
1.0
|
|
C1C
|
H:HEM601
|
3.0
|
43.0
|
1.0
|
|
C4C
|
H:HEM601
|
3.0
|
43.9
|
1.0
|
|
C4D
|
H:HEM601
|
3.0
|
43.3
|
1.0
|
|
C1D
|
H:HEM601
|
3.1
|
42.4
|
1.0
|
|
C1A
|
H:HEM601
|
3.1
|
44.7
|
1.0
|
|
C4A
|
H:HEM601
|
3.1
|
44.6
|
1.0
|
|
C4B
|
H:HEM601
|
3.1
|
42.3
|
1.0
|
|
C1B
|
H:HEM601
|
3.1
|
41.7
|
1.0
|
|
CB
|
H:CYS450
|
3.4
|
52.7
|
1.0
|
|
CHD
|
H:HEM601
|
3.4
|
43.8
|
1.0
|
|
CHC
|
H:HEM601
|
3.4
|
43.2
|
1.0
|
|
CHA
|
H:HEM601
|
3.4
|
44.2
|
1.0
|
|
CHB
|
H:HEM601
|
3.5
|
42.4
|
1.0
|
|
C08
|
H:0T3602
|
4.1
|
49.2
|
1.0
|
|
N04
|
H:0T3602
|
4.1
|
49.1
|
1.0
|
|
CA
|
H:CYS450
|
4.1
|
52.4
|
1.0
|
|
C2C
|
H:HEM601
|
4.2
|
44.2
|
1.0
|
|
C3C
|
H:HEM601
|
4.2
|
44.0
|
1.0
|
|
C3D
|
H:HEM601
|
4.3
|
42.2
|
1.0
|
|
C2D
|
H:HEM601
|
4.3
|
41.3
|
1.0
|
|
C3A
|
H:HEM601
|
4.3
|
45.5
|
1.0
|
|
C2A
|
H:HEM601
|
4.3
|
46.8
|
1.0
|
|
C3B
|
H:HEM601
|
4.3
|
41.8
|
1.0
|
|
C2B
|
H:HEM601
|
4.4
|
41.7
|
1.0
|
|
N
|
H:GLY452
|
4.8
|
50.9
|
1.0
|
|
C
|
H:CYS450
|
4.8
|
52.0
|
1.0
|
|
N
|
H:LEU451
|
4.9
|
51.2
|
1.0
|
|
Iron binding site 9 out
of 12 in 4fdh
Go back to
Iron Binding Sites List in 4fdh
Iron binding site 9 out
of 12 in the Structure of Human Aldosterone Synthase, CYP11B2, 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 Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe601
b:55.0
occ:1.00
|
FE
|
I:HEM601
|
0.0
|
55.0
|
1.0
|
|
NA
|
I:HEM601
|
2.0
|
53.4
|
1.0
|
|
NB
|
I:HEM601
|
2.0
|
52.8
|
1.0
|
|
ND
|
I:HEM601
|
2.1
|
53.3
|
1.0
|
|
NC
|
I:HEM601
|
2.1
|
53.2
|
1.0
|
|
N06
|
I:0T3602
|
2.1
|
66.3
|
1.0
|
|
SG
|
I:CYS450
|
2.3
|
63.1
|
1.0
|
|
C07
|
I:0T3602
|
2.9
|
64.7
|
1.0
|
|
C4A
|
I:HEM601
|
3.0
|
54.5
|
1.0
|
|
C1B
|
I:HEM601
|
3.0
|
53.5
|
1.0
|
|
C4B
|
I:HEM601
|
3.0
|
52.4
|
1.0
|
|
C1A
|
I:HEM601
|
3.0
|
53.7
|
1.0
|
|
C1D
|
I:HEM601
|
3.0
|
53.7
|
1.0
|
|
C4D
|
I:HEM601
|
3.1
|
54.1
|
1.0
|
|
C4C
|
I:HEM601
|
3.1
|
53.5
|
1.0
|
|
C1C
|
I:HEM601
|
3.1
|
52.1
|
1.0
|
|
C05
|
I:0T3602
|
3.3
|
64.8
|
1.0
|
|
CHB
|
I:HEM601
|
3.3
|
54.6
|
1.0
|
|
CHD
|
I:HEM601
|
3.4
|
54.7
|
1.0
|
|
CB
|
I:CYS450
|
3.4
|
62.9
|
1.0
|
|
CHA
|
I:HEM601
|
3.4
|
54.5
|
1.0
|
|
CHC
|
I:HEM601
|
3.5
|
51.9
|
1.0
|
|
C08
|
I:0T3602
|
4.2
|
63.6
|
1.0
|
|
C3A
|
I:HEM601
|
4.2
|
54.1
|
1.0
|
|
C2B
|
I:HEM601
|
4.2
|
52.5
|
1.0
|
|
C3B
|
I:HEM601
|
4.2
|
52.4
|
1.0
|
|
C2A
|
I:HEM601
|
4.2
|
53.9
|
1.0
|
|
CA
|
I:CYS450
|
4.2
|
62.9
|
1.0
|
|
C2D
|
I:HEM601
|
4.3
|
51.9
|
1.0
|
|
C3D
|
I:HEM601
|
4.3
|
53.8
|
1.0
|
|
N04
|
I:0T3602
|
4.3
|
62.6
|
1.0
|
|
C3C
|
I:HEM601
|
4.3
|
53.5
|
1.0
|
|
C2C
|
I:HEM601
|
4.4
|
52.2
|
1.0
|
|
N
|
I:GLY452
|
4.9
|
61.0
|
1.0
|
|
C
|
I:CYS450
|
4.9
|
62.5
|
1.0
|
|
Iron binding site 10 out
of 12 in 4fdh
Go back to
Iron Binding Sites List in 4fdh
Iron binding site 10 out
of 12 in the Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Structure of Human Aldosterone Synthase, CYP11B2, in Complex with Fadrozole within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Fe601
b:60.5
occ:1.00
|
FE
|
J:HEM601
|
0.0
|
60.5
|
1.0
|
|
NA
|
J:HEM601
|
2.0
|
58.4
|
1.0
|
|
ND
|
J:HEM601
|
2.0
|
56.7
|
1.0
|
|
NB
|
J:HEM601
|
2.0
|
57.6
|
1.0
|
|
NC
|
J:HEM601
|
2.1
|
58.1
|
1.0
|
|
N06
|
J:0T3602
|
2.2
|
64.5
|
1.0
|
|
SG
|
J:CYS450
|
2.6
|
75.8
|
1.0
|
|
C1D
|
J:HEM601
|
3.0
|
57.2
|
1.0
|
|
C4A
|
J:HEM601
|
3.0
|
58.6
|
1.0
|
|
C1B
|
J:HEM601
|
3.0
|
58.0
|
1.0
|
|
C07
|
J:0T3602
|
3.0
|
63.6
|
1.0
|
|
C4C
|
J:HEM601
|
3.0
|
57.5
|
1.0
|
|
C1A
|
J:HEM601
|
3.0
|
58.6
|
1.0
|
|
C4D
|
J:HEM601
|
3.1
|
57.8
|
1.0
|
|
C4B
|
J:HEM601
|
3.1
|
57.7
|
1.0
|
|
C1C
|
J:HEM601
|
3.1
|
57.8
|
1.0
|
|
C05
|
J:0T3602
|
3.2
|
63.6
|
1.0
|
|
CB
|
J:CYS450
|
3.3
|
75.2
|
1.0
|
|
CHD
|
J:HEM601
|
3.3
|
58.5
|
1.0
|
|
CHB
|
J:HEM601
|
3.3
|
58.4
|
1.0
|
|
CHA
|
J:HEM601
|
3.4
|
58.0
|
1.0
|
|
CHC
|
J:HEM601
|
3.5
|
56.8
|
1.0
|
|
CA
|
J:CYS450
|
4.1
|
75.1
|
1.0
|
|
C3A
|
J:HEM601
|
4.2
|
58.6
|
1.0
|
|
C2D
|
J:HEM601
|
4.2
|
56.3
|
1.0
|
|
C2A
|
J:HEM601
|
4.2
|
59.4
|
1.0
|
|
C08
|
J:0T3602
|
4.3
|
62.9
|
1.0
|
|
C3C
|
J:HEM601
|
4.3
|
58.1
|
1.0
|
|
C2B
|
J:HEM601
|
4.3
|
57.1
|
1.0
|
|
C3D
|
J:HEM601
|
4.3
|
58.0
|
1.0
|
|
C3B
|
J:HEM601
|
4.3
|
57.3
|
1.0
|
|
C2C
|
J:HEM601
|
4.3
|
58.2
|
1.0
|
|
N04
|
J:0T3602
|
4.3
|
62.7
|
1.0
|
|
C
|
J:CYS450
|
4.8
|
74.5
|
1.0
|
|
N
|
J:LEU451
|
4.9
|
73.8
|
1.0
|
|
Reference:
N.Strushkevich,
A.A.Gilep,
L.Shen,
C.H.Arrowsmith,
A.M.Edwards,
S.A.Usanov,
H.W.Park.
Structural Insights Into Aldosterone Synthase Substrate Specificity and Targeted Inhibition. Mol.Endocrinol. V. 27 315 2013.
ISSN: ISSN 0888-8809
PubMed: 23322723
DOI: 10.1210/ME.2012-1287
Page generated: Mon Aug 5 02:13:35 2024
|
