Iron in PDB 5veu: Human Cytochrome P450 3A5 (CYP3A5)
Enzymatic activity of Human Cytochrome P450 3A5 (CYP3A5)
All present enzymatic activity of Human Cytochrome P450 3A5 (CYP3A5):
1.14.14.1;
Protein crystallography data
The structure of Human Cytochrome P450 3A5 (CYP3A5), PDB code: 5veu
was solved by
M.-H.Hsu,
E.F.Johnson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
39.16 /
2.91
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
148.988,
198.384,
234.881,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
21.4 /
25.8
|
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Iron atom in the Human Cytochrome P450 3A5 (CYP3A5)
(pdb code 5veu). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the
Human Cytochrome P450 3A5 (CYP3A5), PDB code: 5veu:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 12 in 5veu
Go back to
Iron Binding Sites List in 5veu
Iron binding site 1 out
of 12 in the Human Cytochrome P450 3A5 (CYP3A5)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Human Cytochrome P450 3A5 (CYP3A5) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe601
b:36.1
occ:1.00
|
FE
|
A:HEM601
|
0.0
|
36.1
|
1.0
|
|
NC
|
A:HEM601
|
2.0
|
36.8
|
1.0
|
|
ND
|
A:HEM601
|
2.0
|
32.8
|
1.0
|
|
NB
|
A:HEM601
|
2.0
|
35.8
|
1.0
|
|
NA
|
A:HEM601
|
2.1
|
31.5
|
1.0
|
|
N5
|
A:RIT602
|
2.2
|
39.9
|
1.0
|
|
SG
|
A:CYS441
|
2.2
|
37.4
|
1.0
|
|
C4
|
A:RIT602
|
3.0
|
42.1
|
1.0
|
|
C1D
|
A:HEM601
|
3.1
|
35.4
|
1.0
|
|
C4C
|
A:HEM601
|
3.1
|
36.1
|
1.0
|
|
C1C
|
A:HEM601
|
3.1
|
37.0
|
1.0
|
|
C4B
|
A:HEM601
|
3.1
|
37.1
|
1.0
|
|
C1B
|
A:HEM601
|
3.1
|
34.9
|
1.0
|
|
C4D
|
A:HEM601
|
3.1
|
35.7
|
1.0
|
|
C4A
|
A:HEM601
|
3.1
|
34.9
|
1.0
|
|
C1A
|
A:HEM601
|
3.1
|
30.5
|
1.0
|
|
C1
|
A:RIT602
|
3.3
|
41.6
|
1.0
|
|
CHD
|
A:HEM601
|
3.4
|
36.2
|
1.0
|
|
CHC
|
A:HEM601
|
3.4
|
35.4
|
1.0
|
|
CHB
|
A:HEM601
|
3.4
|
32.1
|
1.0
|
|
CHA
|
A:HEM601
|
3.5
|
35.0
|
1.0
|
|
CB
|
A:CYS441
|
3.5
|
35.1
|
1.0
|
|
CA
|
A:CYS441
|
4.2
|
34.9
|
1.0
|
|
C2D
|
A:HEM601
|
4.3
|
37.5
|
1.0
|
|
C2C
|
A:HEM601
|
4.3
|
36.3
|
1.0
|
|
C3C
|
A:HEM601
|
4.3
|
36.7
|
1.0
|
|
C2B
|
A:HEM601
|
4.3
|
34.5
|
1.0
|
|
C3D
|
A:HEM601
|
4.3
|
37.7
|
1.0
|
|
C3B
|
A:HEM601
|
4.3
|
38.7
|
1.0
|
|
C3A
|
A:HEM601
|
4.3
|
35.1
|
1.0
|
|
C2A
|
A:HEM601
|
4.3
|
36.3
|
1.0
|
|
C2
|
A:RIT602
|
4.5
|
47.2
|
1.0
|
|
S3
|
A:RIT602
|
4.6
|
74.4
|
1.0
|
|
C50
|
A:RIT602
|
4.8
|
50.9
|
1.0
|
|
C
|
A:CYS441
|
5.0
|
41.8
|
1.0
|
|
Iron binding site 2 out
of 12 in 5veu
Go back to
Iron Binding Sites List in 5veu
Iron binding site 2 out
of 12 in the Human Cytochrome P450 3A5 (CYP3A5)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Human Cytochrome P450 3A5 (CYP3A5) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe601
b:60.7
occ:1.00
|
FE
|
B:HEM601
|
0.0
|
60.7
|
1.0
|
|
ND
|
B:HEM601
|
2.0
|
46.8
|
1.0
|
|
NA
|
B:HEM601
|
2.0
|
47.4
|
1.0
|
|
NC
|
B:HEM601
|
2.1
|
38.0
|
1.0
|
|
NB
|
B:HEM601
|
2.1
|
49.4
|
1.0
|
|
N5
|
B:RIT602
|
2.2
|
55.8
|
1.0
|
|
SG
|
B:CYS441
|
2.3
|
49.1
|
1.0
|
|
C4D
|
B:HEM601
|
3.0
|
47.7
|
1.0
|
|
C1A
|
B:HEM601
|
3.1
|
48.7
|
1.0
|
|
C1D
|
B:HEM601
|
3.1
|
43.9
|
1.0
|
|
C4A
|
B:HEM601
|
3.1
|
48.1
|
1.0
|
|
C4C
|
B:HEM601
|
3.1
|
44.6
|
1.0
|
|
C1B
|
B:HEM601
|
3.1
|
49.9
|
1.0
|
|
C1C
|
B:HEM601
|
3.1
|
40.9
|
1.0
|
|
C4B
|
B:HEM601
|
3.1
|
47.2
|
1.0
|
|
C1
|
B:RIT602
|
3.1
|
60.4
|
1.0
|
|
C4
|
B:RIT602
|
3.1
|
57.7
|
1.0
|
|
CB
|
B:CYS441
|
3.4
|
42.6
|
1.0
|
|
CHA
|
B:HEM601
|
3.4
|
49.9
|
1.0
|
|
CHD
|
B:HEM601
|
3.4
|
44.5
|
1.0
|
|
CHB
|
B:HEM601
|
3.4
|
50.4
|
1.0
|
|
CHC
|
B:HEM601
|
3.5
|
43.4
|
1.0
|
|
CA
|
B:CYS441
|
4.1
|
47.1
|
1.0
|
|
C3D
|
B:HEM601
|
4.3
|
47.7
|
1.0
|
|
C2D
|
B:HEM601
|
4.3
|
46.4
|
1.0
|
|
C2A
|
B:HEM601
|
4.3
|
46.7
|
1.0
|
|
C3A
|
B:HEM601
|
4.3
|
46.2
|
1.0
|
|
C2B
|
B:HEM601
|
4.3
|
43.0
|
1.0
|
|
C3C
|
B:HEM601
|
4.3
|
45.0
|
1.0
|
|
C2C
|
B:HEM601
|
4.3
|
42.8
|
1.0
|
|
C3B
|
B:HEM601
|
4.3
|
44.8
|
1.0
|
|
C2
|
B:RIT602
|
4.3
|
63.4
|
1.0
|
|
S3
|
B:RIT602
|
4.7
|
56.5
|
1.0
|
|
C
|
B:CYS441
|
4.9
|
51.9
|
1.0
|
|
N
|
B:ILE442
|
4.9
|
49.5
|
1.0
|
|
N
|
B:GLY443
|
4.9
|
50.4
|
1.0
|
|
Iron binding site 3 out
of 12 in 5veu
Go back to
Iron Binding Sites List in 5veu
Iron binding site 3 out
of 12 in the Human Cytochrome P450 3A5 (CYP3A5)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Human Cytochrome P450 3A5 (CYP3A5) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe601
b:37.2
occ:1.00
|
FE
|
C:HEM601
|
0.0
|
37.2
|
1.0
|
|
NC
|
C:HEM601
|
2.0
|
35.1
|
1.0
|
|
ND
|
C:HEM601
|
2.0
|
33.5
|
1.0
|
|
NA
|
C:HEM601
|
2.0
|
28.8
|
1.0
|
|
NB
|
C:HEM601
|
2.0
|
28.7
|
1.0
|
|
SG
|
C:CYS441
|
2.3
|
37.2
|
1.0
|
|
C1D
|
C:HEM601
|
3.1
|
36.1
|
1.0
|
|
C4C
|
C:HEM601
|
3.1
|
31.4
|
1.0
|
|
C1C
|
C:HEM601
|
3.1
|
32.7
|
1.0
|
|
C4B
|
C:HEM601
|
3.1
|
30.9
|
1.0
|
|
C4D
|
C:HEM601
|
3.1
|
32.6
|
1.0
|
|
C4A
|
C:HEM601
|
3.1
|
34.2
|
1.0
|
|
C1B
|
C:HEM601
|
3.1
|
32.1
|
1.0
|
|
C1A
|
C:HEM601
|
3.1
|
28.5
|
1.0
|
|
CB
|
C:CYS441
|
3.3
|
31.9
|
1.0
|
|
CHD
|
C:HEM601
|
3.4
|
32.7
|
1.0
|
|
CHC
|
C:HEM601
|
3.4
|
31.8
|
1.0
|
|
CHB
|
C:HEM601
|
3.4
|
31.4
|
1.0
|
|
CHA
|
C:HEM601
|
3.4
|
30.7
|
1.0
|
|
CA
|
C:CYS441
|
4.0
|
33.9
|
1.0
|
|
C2D
|
C:HEM601
|
4.3
|
37.9
|
1.0
|
|
C2C
|
C:HEM601
|
4.3
|
31.3
|
1.0
|
|
C3D
|
C:HEM601
|
4.3
|
33.7
|
1.0
|
|
C2B
|
C:HEM601
|
4.3
|
32.9
|
1.0
|
|
C3A
|
C:HEM601
|
4.3
|
28.1
|
1.0
|
|
C3B
|
C:HEM601
|
4.3
|
33.1
|
1.0
|
|
C2A
|
C:HEM601
|
4.3
|
29.1
|
1.0
|
|
C3C
|
C:HEM601
|
4.3
|
28.4
|
1.0
|
|
C
|
C:CYS441
|
4.8
|
35.4
|
1.0
|
|
N
|
C:ILE442
|
4.9
|
33.0
|
1.0
|
|
N
|
C:GLY443
|
4.9
|
34.3
|
1.0
|
|
Iron binding site 4 out
of 12 in 5veu
Go back to
Iron Binding Sites List in 5veu
Iron binding site 4 out
of 12 in the Human Cytochrome P450 3A5 (CYP3A5)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Human Cytochrome P450 3A5 (CYP3A5) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe601
b:56.6
occ:1.00
|
FE
|
D:HEM601
|
0.0
|
56.6
|
1.0
|
|
ND
|
D:HEM601
|
2.0
|
44.7
|
1.0
|
|
NA
|
D:HEM601
|
2.0
|
46.0
|
1.0
|
|
NB
|
D:HEM601
|
2.0
|
41.9
|
1.0
|
|
NC
|
D:HEM601
|
2.1
|
46.4
|
1.0
|
|
SG
|
D:CYS441
|
2.3
|
53.9
|
1.0
|
|
C4D
|
D:HEM601
|
3.0
|
46.5
|
1.0
|
|
C1D
|
D:HEM601
|
3.1
|
47.9
|
1.0
|
|
C1A
|
D:HEM601
|
3.1
|
45.9
|
1.0
|
|
C4A
|
D:HEM601
|
3.1
|
42.0
|
1.0
|
|
C1B
|
D:HEM601
|
3.1
|
45.1
|
1.0
|
|
C4B
|
D:HEM601
|
3.1
|
44.2
|
1.0
|
|
C1C
|
D:HEM601
|
3.1
|
44.9
|
1.0
|
|
C4C
|
D:HEM601
|
3.1
|
43.6
|
1.0
|
|
CB
|
D:CYS441
|
3.4
|
49.5
|
1.0
|
|
CHA
|
D:HEM601
|
3.4
|
48.9
|
1.0
|
|
CHB
|
D:HEM601
|
3.4
|
44.7
|
1.0
|
|
CHC
|
D:HEM601
|
3.4
|
48.6
|
1.0
|
|
CHD
|
D:HEM601
|
3.4
|
44.5
|
1.0
|
|
CA
|
D:CYS441
|
4.2
|
47.1
|
1.0
|
|
C3D
|
D:HEM601
|
4.3
|
43.9
|
1.0
|
|
C2D
|
D:HEM601
|
4.3
|
45.2
|
1.0
|
|
C2A
|
D:HEM601
|
4.3
|
44.5
|
1.0
|
|
C3A
|
D:HEM601
|
4.3
|
42.6
|
1.0
|
|
C2B
|
D:HEM601
|
4.3
|
40.6
|
1.0
|
|
C3B
|
D:HEM601
|
4.3
|
42.4
|
1.0
|
|
C2C
|
D:HEM601
|
4.3
|
43.3
|
1.0
|
|
C3C
|
D:HEM601
|
4.3
|
47.0
|
1.0
|
|
C
|
D:CYS441
|
5.0
|
51.2
|
1.0
|
|
Iron binding site 5 out
of 12 in 5veu
Go back to
Iron Binding Sites List in 5veu
Iron binding site 5 out
of 12 in the Human Cytochrome P450 3A5 (CYP3A5)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Human Cytochrome P450 3A5 (CYP3A5) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe601
b:82.5
occ:1.00
|
FE
|
E:HEM601
|
0.0
|
82.5
|
1.0
|
|
NB
|
E:HEM601
|
2.0
|
81.7
|
1.0
|
|
NC
|
E:HEM601
|
2.1
|
86.4
|
1.0
|
|
NA
|
E:HEM601
|
2.1
|
74.8
|
1.0
|
|
ND
|
E:HEM601
|
2.1
|
78.3
|
1.0
|
|
SG
|
E:CYS441
|
2.2
|
85.0
|
1.0
|
|
C1B
|
E:HEM601
|
3.0
|
81.5
|
1.0
|
|
C4B
|
E:HEM601
|
3.0
|
81.4
|
1.0
|
|
C4A
|
E:HEM601
|
3.1
|
77.8
|
1.0
|
|
C1C
|
E:HEM601
|
3.1
|
86.1
|
1.0
|
|
C1D
|
E:HEM601
|
3.1
|
80.3
|
1.0
|
|
C4C
|
E:HEM601
|
3.1
|
84.0
|
1.0
|
|
C1A
|
E:HEM601
|
3.1
|
83.3
|
1.0
|
|
C4D
|
E:HEM601
|
3.1
|
78.7
|
1.0
|
|
CHB
|
E:HEM601
|
3.4
|
79.3
|
1.0
|
|
CHC
|
E:HEM601
|
3.4
|
80.1
|
1.0
|
|
CHD
|
E:HEM601
|
3.4
|
79.4
|
1.0
|
|
CHA
|
E:HEM601
|
3.5
|
85.0
|
1.0
|
|
CB
|
E:CYS441
|
3.6
|
83.6
|
1.0
|
|
CA
|
E:CYS441
|
4.2
|
86.3
|
1.0
|
|
C2B
|
E:HEM601
|
4.2
|
90.2
|
1.0
|
|
C3B
|
E:HEM601
|
4.2
|
90.2
|
1.0
|
|
C2D
|
E:HEM601
|
4.3
|
77.9
|
1.0
|
|
C3A
|
E:HEM601
|
4.3
|
76.7
|
1.0
|
|
C2C
|
E:HEM601
|
4.3
|
92.0
|
1.0
|
|
C3D
|
E:HEM601
|
4.3
|
71.5
|
1.0
|
|
C2A
|
E:HEM601
|
4.3
|
73.7
|
1.0
|
|
C3C
|
E:HEM601
|
4.3
|
90.6
|
1.0
|
|
Iron binding site 6 out
of 12 in 5veu
Go back to
Iron Binding Sites List in 5veu
Iron binding site 6 out
of 12 in the Human Cytochrome P450 3A5 (CYP3A5)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Human Cytochrome P450 3A5 (CYP3A5) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe601
b:53.7
occ:1.00
|
FE
|
F:HEM601
|
0.0
|
53.7
|
1.0
|
|
NB
|
F:HEM601
|
2.0
|
41.4
|
1.0
|
|
NC
|
F:HEM601
|
2.0
|
49.4
|
1.0
|
|
NA
|
F:HEM601
|
2.1
|
45.9
|
1.0
|
|
ND
|
F:HEM601
|
2.1
|
39.6
|
1.0
|
|
SG
|
F:CYS441
|
2.2
|
63.8
|
1.0
|
|
C1B
|
F:HEM601
|
3.1
|
37.2
|
1.0
|
|
C1C
|
F:HEM601
|
3.1
|
47.2
|
1.0
|
|
C4B
|
F:HEM601
|
3.1
|
43.2
|
1.0
|
|
C4A
|
F:HEM601
|
3.1
|
46.3
|
1.0
|
|
C4C
|
F:HEM601
|
3.1
|
46.6
|
1.0
|
|
C1A
|
F:HEM601
|
3.1
|
46.4
|
1.0
|
|
C1D
|
F:HEM601
|
3.1
|
44.1
|
1.0
|
|
C4D
|
F:HEM601
|
3.1
|
46.6
|
1.0
|
|
CHC
|
F:HEM601
|
3.4
|
41.6
|
1.0
|
|
CHB
|
F:HEM601
|
3.4
|
40.6
|
1.0
|
|
CHD
|
F:HEM601
|
3.4
|
41.7
|
1.0
|
|
CHA
|
F:HEM601
|
3.5
|
46.9
|
1.0
|
|
CB
|
F:CYS441
|
3.5
|
57.2
|
1.0
|
|
CA
|
F:CYS441
|
4.2
|
59.9
|
1.0
|
|
C2B
|
F:HEM601
|
4.3
|
43.3
|
1.0
|
|
C2C
|
F:HEM601
|
4.3
|
44.7
|
1.0
|
|
C3B
|
F:HEM601
|
4.3
|
44.0
|
1.0
|
|
C3C
|
F:HEM601
|
4.3
|
43.2
|
1.0
|
|
C3A
|
F:HEM601
|
4.3
|
45.3
|
1.0
|
|
C2A
|
F:HEM601
|
4.3
|
49.0
|
1.0
|
|
C2D
|
F:HEM601
|
4.3
|
49.0
|
1.0
|
|
C3D
|
F:HEM601
|
4.3
|
51.4
|
1.0
|
|
C
|
F:CYS441
|
4.9
|
57.5
|
1.0
|
|
N
|
F:GLY443
|
5.0
|
51.8
|
1.0
|
|
Iron binding site 7 out
of 12 in 5veu
Go back to
Iron Binding Sites List in 5veu
Iron binding site 7 out
of 12 in the Human Cytochrome P450 3A5 (CYP3A5)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Human Cytochrome P450 3A5 (CYP3A5) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe601
b:68.3
occ:1.00
|
FE
|
G:HEM601
|
0.0
|
68.3
|
1.0
|
|
ND
|
G:HEM601
|
2.0
|
38.3
|
1.0
|
|
NA
|
G:HEM601
|
2.0
|
36.7
|
1.0
|
|
NC
|
G:HEM601
|
2.0
|
39.6
|
1.0
|
|
NB
|
G:HEM601
|
2.1
|
37.3
|
1.0
|
|
SG
|
G:CYS441
|
2.3
|
47.3
|
1.0
|
|
C1D
|
G:HEM601
|
3.0
|
39.1
|
1.0
|
|
C4D
|
G:HEM601
|
3.1
|
31.7
|
1.0
|
|
C4C
|
G:HEM601
|
3.1
|
39.8
|
1.0
|
|
C1A
|
G:HEM601
|
3.1
|
32.8
|
1.0
|
|
C1C
|
G:HEM601
|
3.1
|
41.5
|
1.0
|
|
C4A
|
G:HEM601
|
3.1
|
35.1
|
1.0
|
|
C1B
|
G:HEM601
|
3.1
|
34.9
|
1.0
|
|
C4B
|
G:HEM601
|
3.1
|
37.2
|
1.0
|
|
CB
|
G:CYS441
|
3.4
|
34.7
|
1.0
|
|
CHD
|
G:HEM601
|
3.4
|
39.7
|
1.0
|
|
CHA
|
G:HEM601
|
3.4
|
32.0
|
1.0
|
|
CHC
|
G:HEM601
|
3.4
|
37.8
|
1.0
|
|
CHB
|
G:HEM601
|
3.4
|
36.3
|
1.0
|
|
CA
|
G:CYS441
|
4.1
|
34.9
|
1.0
|
|
C2D
|
G:HEM601
|
4.3
|
34.5
|
1.0
|
|
C3D
|
G:HEM601
|
4.3
|
35.1
|
1.0
|
|
C2A
|
G:HEM601
|
4.3
|
31.9
|
1.0
|
|
C2C
|
G:HEM601
|
4.3
|
36.9
|
1.0
|
|
C3A
|
G:HEM601
|
4.3
|
27.2
|
1.0
|
|
C3C
|
G:HEM601
|
4.3
|
37.6
|
1.0
|
|
C2B
|
G:HEM601
|
4.3
|
34.8
|
1.0
|
|
C3B
|
G:HEM601
|
4.3
|
39.8
|
1.0
|
|
C
|
G:CYS441
|
4.9
|
41.2
|
1.0
|
|
Iron binding site 8 out
of 12 in 5veu
Go back to
Iron Binding Sites List in 5veu
Iron binding site 8 out
of 12 in the Human Cytochrome P450 3A5 (CYP3A5)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Human Cytochrome P450 3A5 (CYP3A5) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe601
b:53.4
occ:1.00
|
FE
|
H:HEM601
|
0.0
|
53.4
|
1.0
|
|
ND
|
H:HEM601
|
2.0
|
51.3
|
1.0
|
|
NA
|
H:HEM601
|
2.0
|
49.3
|
1.0
|
|
NC
|
H:HEM601
|
2.0
|
47.7
|
1.0
|
|
NB
|
H:HEM601
|
2.1
|
46.3
|
1.0
|
|
SG
|
H:CYS441
|
2.3
|
52.0
|
1.0
|
|
N5
|
H:RIT602
|
2.3
|
54.6
|
1.0
|
|
C4D
|
H:HEM601
|
3.0
|
55.1
|
1.0
|
|
C1A
|
H:HEM601
|
3.0
|
54.3
|
1.0
|
|
C1D
|
H:HEM601
|
3.0
|
51.0
|
1.0
|
|
C4C
|
H:HEM601
|
3.0
|
50.6
|
1.0
|
|
C1C
|
H:HEM601
|
3.1
|
45.0
|
1.0
|
|
C4A
|
H:HEM601
|
3.1
|
50.6
|
1.0
|
|
C4B
|
H:HEM601
|
3.1
|
46.4
|
1.0
|
|
C1B
|
H:HEM601
|
3.1
|
47.0
|
1.0
|
|
C4
|
H:RIT602
|
3.2
|
53.9
|
1.0
|
|
CHA
|
H:HEM601
|
3.3
|
56.7
|
1.0
|
|
C1
|
H:RIT602
|
3.3
|
57.0
|
1.0
|
|
CB
|
H:CYS441
|
3.4
|
50.5
|
1.0
|
|
CHC
|
H:HEM601
|
3.4
|
47.4
|
1.0
|
|
CHD
|
H:HEM601
|
3.4
|
49.4
|
1.0
|
|
CHB
|
H:HEM601
|
3.5
|
50.1
|
1.0
|
|
CA
|
H:CYS441
|
4.1
|
49.8
|
1.0
|
|
C3D
|
H:HEM601
|
4.2
|
52.9
|
1.0
|
|
C2A
|
H:HEM601
|
4.2
|
51.4
|
1.0
|
|
C2D
|
H:HEM601
|
4.2
|
52.0
|
1.0
|
|
C3A
|
H:HEM601
|
4.3
|
51.6
|
1.0
|
|
C3C
|
H:HEM601
|
4.3
|
49.0
|
1.0
|
|
C2C
|
H:HEM601
|
4.3
|
42.2
|
1.0
|
|
C3B
|
H:HEM601
|
4.3
|
49.7
|
1.0
|
|
C2B
|
H:HEM601
|
4.3
|
49.5
|
1.0
|
|
C51
|
H:RIT602
|
4.4
|
68.4
|
1.0
|
|
C2
|
H:RIT602
|
4.5
|
63.3
|
1.0
|
|
S3
|
H:RIT602
|
4.7
|
60.0
|
1.0
|
|
N
|
H:GLY443
|
4.8
|
54.0
|
1.0
|
|
C
|
H:CYS441
|
4.9
|
49.9
|
1.0
|
|
N
|
H:ILE442
|
4.9
|
47.3
|
1.0
|
|
Iron binding site 9 out
of 12 in 5veu
Go back to
Iron Binding Sites List in 5veu
Iron binding site 9 out
of 12 in the Human Cytochrome P450 3A5 (CYP3A5)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Human Cytochrome P450 3A5 (CYP3A5) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe601
b:42.4
occ:1.00
|
FE
|
I:HEM601
|
0.0
|
42.4
|
1.0
|
|
NC
|
I:HEM601
|
2.0
|
36.1
|
1.0
|
|
NB
|
I:HEM601
|
2.0
|
36.4
|
1.0
|
|
ND
|
I:HEM601
|
2.1
|
36.4
|
1.0
|
|
NA
|
I:HEM601
|
2.1
|
37.3
|
1.0
|
|
SG
|
I:CYS441
|
2.3
|
41.5
|
1.0
|
|
C4C
|
I:HEM601
|
3.1
|
39.8
|
1.0
|
|
C1B
|
I:HEM601
|
3.1
|
38.1
|
1.0
|
|
C1C
|
I:HEM601
|
3.1
|
34.5
|
1.0
|
|
C1D
|
I:HEM601
|
3.1
|
39.7
|
1.0
|
|
C4B
|
I:HEM601
|
3.1
|
38.0
|
1.0
|
|
C4A
|
I:HEM601
|
3.1
|
32.8
|
1.0
|
|
C4D
|
I:HEM601
|
3.1
|
37.6
|
1.0
|
|
C1A
|
I:HEM601
|
3.1
|
36.7
|
1.0
|
|
CB
|
I:CYS441
|
3.4
|
37.2
|
1.0
|
|
CHD
|
I:HEM601
|
3.4
|
40.1
|
1.0
|
|
CHC
|
I:HEM601
|
3.4
|
37.5
|
1.0
|
|
CHB
|
I:HEM601
|
3.4
|
34.0
|
1.0
|
|
CHA
|
I:HEM601
|
3.5
|
38.3
|
1.0
|
|
CA
|
I:CYS441
|
4.1
|
38.9
|
1.0
|
|
C2C
|
I:HEM601
|
4.3
|
36.8
|
1.0
|
|
C2B
|
I:HEM601
|
4.3
|
37.8
|
1.0
|
|
C2D
|
I:HEM601
|
4.3
|
38.8
|
1.0
|
|
C3C
|
I:HEM601
|
4.3
|
37.8
|
1.0
|
|
C3B
|
I:HEM601
|
4.3
|
35.8
|
1.0
|
|
C3D
|
I:HEM601
|
4.3
|
38.5
|
1.0
|
|
C3A
|
I:HEM601
|
4.3
|
33.0
|
1.0
|
|
C2A
|
I:HEM601
|
4.3
|
34.0
|
1.0
|
|
C
|
I:CYS441
|
4.9
|
41.2
|
1.0
|
|
N
|
I:ILE442
|
4.9
|
40.9
|
1.0
|
|
Iron binding site 10 out
of 12 in 5veu
Go back to
Iron Binding Sites List in 5veu
Iron binding site 10 out
of 12 in the Human Cytochrome P450 3A5 (CYP3A5)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Human Cytochrome P450 3A5 (CYP3A5) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Fe601
b:45.1
occ:1.00
|
FE
|
J:HEM601
|
0.0
|
45.1
|
1.0
|
|
NC
|
J:HEM601
|
2.0
|
43.2
|
1.0
|
|
ND
|
J:HEM601
|
2.0
|
46.7
|
1.0
|
|
NA
|
J:HEM601
|
2.1
|
40.7
|
1.0
|
|
NB
|
J:HEM601
|
2.1
|
48.6
|
1.0
|
|
SG
|
J:CYS441
|
2.3
|
51.6
|
1.0
|
|
C1C
|
J:HEM601
|
3.1
|
46.6
|
1.0
|
|
C1D
|
J:HEM601
|
3.1
|
47.5
|
1.0
|
|
C4C
|
J:HEM601
|
3.1
|
46.5
|
1.0
|
|
C4B
|
J:HEM601
|
3.1
|
47.4
|
1.0
|
|
C4D
|
J:HEM601
|
3.1
|
40.2
|
1.0
|
|
C1A
|
J:HEM601
|
3.1
|
44.6
|
1.0
|
|
C4A
|
J:HEM601
|
3.1
|
45.6
|
1.0
|
|
C1B
|
J:HEM601
|
3.1
|
46.0
|
1.0
|
|
CB
|
J:CYS441
|
3.4
|
43.6
|
1.0
|
|
CHC
|
J:HEM601
|
3.4
|
49.2
|
1.0
|
|
CHD
|
J:HEM601
|
3.4
|
49.5
|
1.0
|
|
CHA
|
J:HEM601
|
3.4
|
46.2
|
1.0
|
|
CHB
|
J:HEM601
|
3.4
|
46.5
|
1.0
|
|
CA
|
J:CYS441
|
4.2
|
43.7
|
1.0
|
|
C2D
|
J:HEM601
|
4.3
|
52.6
|
1.0
|
|
C2C
|
J:HEM601
|
4.3
|
46.5
|
1.0
|
|
C3D
|
J:HEM601
|
4.3
|
50.0
|
1.0
|
|
C3C
|
J:HEM601
|
4.3
|
42.9
|
1.0
|
|
C3B
|
J:HEM601
|
4.3
|
45.8
|
1.0
|
|
C2A
|
J:HEM601
|
4.3
|
43.1
|
1.0
|
|
C2B
|
J:HEM601
|
4.3
|
46.1
|
1.0
|
|
C3A
|
J:HEM601
|
4.3
|
43.1
|
1.0
|
|
CB
|
J:ALA305
|
5.0
|
45.3
|
1.0
|
|
Reference:
M.H.Hsu,
U.Savas,
E.F.Johnson.
The X-Ray Crystal Structure of the Human Mono-Oxygenase Cytochrome P450 3A5-Ritonavir Complex Reveals Active Site Differences Between P450S 3A4 and 3A5. Mol. Pharmacol. V. 93 14 2018.
ISSN: ESSN 1521-0111
PubMed: 29093019
DOI: 10.1124/MOL.117.109744
Page generated: Sun Dec 13 16:14:47 2020
|
