Iron in PDB 4ejg: Human Cytochrome P450 2A13 in Complex with Nicotine
Enzymatic activity of Human Cytochrome P450 2A13 in Complex with Nicotine
All present enzymatic activity of Human Cytochrome P450 2A13 in Complex with Nicotine:
1.14.14.1;
Protein crystallography data
The structure of Human Cytochrome P450 2A13 in Complex with Nicotine, PDB code: 4ejg
was solved by
N.M.Devore,
E.E.Scott,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
102.58 /
2.50
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.657,
120.324,
153.731,
100.62,
101.82,
93.73
|
|
R / Rfree (%)
|
22.4 /
28.5
|
Iron Binding Sites:
The binding sites of Iron atom in the Human Cytochrome P450 2A13 in Complex with Nicotine
(pdb code 4ejg). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Human Cytochrome P450 2A13 in Complex with Nicotine, PDB code: 4ejg:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 4ejg
Go back to
Iron Binding Sites List in 4ejg
Iron binding site 1 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Nicotine
 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 2A13 in Complex with Nicotine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe500
b:24.1
occ:1.00
|
FE
|
A:HEM500
|
0.0
|
24.1
|
1.0
|
|
NC
|
A:HEM500
|
2.0
|
25.9
|
1.0
|
|
SG
|
A:CYS439
|
2.0
|
25.4
|
1.0
|
|
NA
|
A:HEM500
|
2.0
|
25.6
|
1.0
|
|
NB
|
A:HEM500
|
2.1
|
27.0
|
1.0
|
|
ND
|
A:HEM500
|
2.1
|
27.1
|
1.0
|
|
C1C
|
A:HEM500
|
3.0
|
25.4
|
1.0
|
|
C4C
|
A:HEM500
|
3.0
|
24.6
|
1.0
|
|
C1A
|
A:HEM500
|
3.0
|
21.3
|
1.0
|
|
C4A
|
A:HEM500
|
3.1
|
23.0
|
1.0
|
|
C1B
|
A:HEM500
|
3.1
|
21.9
|
1.0
|
|
C4B
|
A:HEM500
|
3.1
|
23.0
|
1.0
|
|
C4D
|
A:HEM500
|
3.1
|
24.4
|
1.0
|
|
C1D
|
A:HEM500
|
3.1
|
19.9
|
1.0
|
|
CHC
|
A:HEM500
|
3.4
|
25.6
|
1.0
|
|
CHB
|
A:HEM500
|
3.4
|
21.6
|
1.0
|
|
CHA
|
A:HEM500
|
3.4
|
24.6
|
1.0
|
|
CB
|
A:CYS439
|
3.4
|
26.7
|
1.0
|
|
CHD
|
A:HEM500
|
3.4
|
22.0
|
1.0
|
|
C9
|
A:NCT501
|
3.8
|
52.5
|
1.0
|
|
C2C
|
A:HEM500
|
4.2
|
26.1
|
1.0
|
|
C3C
|
A:HEM500
|
4.2
|
25.5
|
1.0
|
|
C2A
|
A:HEM500
|
4.3
|
21.8
|
1.0
|
|
C3A
|
A:HEM500
|
4.3
|
21.9
|
1.0
|
|
C3B
|
A:HEM500
|
4.3
|
24.8
|
1.0
|
|
C2B
|
A:HEM500
|
4.3
|
26.5
|
1.0
|
|
CA
|
A:CYS439
|
4.3
|
28.1
|
1.0
|
|
C3D
|
A:HEM500
|
4.3
|
23.5
|
1.0
|
|
C2D
|
A:HEM500
|
4.4
|
23.2
|
1.0
|
|
C8
|
A:NCT501
|
4.5
|
54.6
|
1.0
|
|
CB
|
A:ALA301
|
4.9
|
27.2
|
1.0
|
|
N2
|
A:NCT501
|
5.0
|
53.8
|
1.0
|
|
Iron binding site 2 out
of 8 in 4ejg
Go back to
Iron Binding Sites List in 4ejg
Iron binding site 2 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Nicotine
 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 2A13 in Complex with Nicotine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe500
b:23.4
occ:1.00
|
FE
|
B:HEM500
|
0.0
|
23.4
|
1.0
|
|
NA
|
B:HEM500
|
2.0
|
25.0
|
1.0
|
|
NB
|
B:HEM500
|
2.0
|
24.0
|
1.0
|
|
NC
|
B:HEM500
|
2.1
|
25.3
|
1.0
|
|
ND
|
B:HEM500
|
2.2
|
26.0
|
1.0
|
|
SG
|
B:CYS439
|
2.2
|
21.4
|
1.0
|
|
C4A
|
B:HEM500
|
3.0
|
24.2
|
1.0
|
|
C1B
|
B:HEM500
|
3.0
|
22.7
|
1.0
|
|
C1A
|
B:HEM500
|
3.0
|
24.2
|
1.0
|
|
C4B
|
B:HEM500
|
3.1
|
21.7
|
1.0
|
|
C1C
|
B:HEM500
|
3.1
|
23.4
|
1.0
|
|
C4C
|
B:HEM500
|
3.1
|
24.1
|
1.0
|
|
C4D
|
B:HEM500
|
3.1
|
24.7
|
1.0
|
|
C1D
|
B:HEM500
|
3.2
|
22.8
|
1.0
|
|
CHB
|
B:HEM500
|
3.3
|
25.6
|
1.0
|
|
CHC
|
B:HEM500
|
3.4
|
25.0
|
1.0
|
|
CHA
|
B:HEM500
|
3.4
|
25.6
|
1.0
|
|
CHD
|
B:HEM500
|
3.5
|
22.7
|
1.0
|
|
CB
|
B:CYS439
|
3.5
|
23.1
|
1.0
|
|
C9
|
B:NCT501
|
4.0
|
44.5
|
1.0
|
|
C3A
|
B:HEM500
|
4.2
|
23.8
|
1.0
|
|
C3B
|
B:HEM500
|
4.3
|
21.0
|
1.0
|
|
C2B
|
B:HEM500
|
4.3
|
23.2
|
1.0
|
|
C2A
|
B:HEM500
|
4.3
|
25.0
|
1.0
|
|
C2C
|
B:HEM500
|
4.3
|
23.5
|
1.0
|
|
C3C
|
B:HEM500
|
4.3
|
24.1
|
1.0
|
|
CA
|
B:CYS439
|
4.4
|
23.7
|
1.0
|
|
C2D
|
B:HEM500
|
4.4
|
23.1
|
1.0
|
|
C3D
|
B:HEM500
|
4.4
|
24.8
|
1.0
|
|
CB
|
B:ALA301
|
4.8
|
32.4
|
1.0
|
|
C8
|
B:NCT501
|
4.8
|
47.2
|
1.0
|
|
Iron binding site 3 out
of 8 in 4ejg
Go back to
Iron Binding Sites List in 4ejg
Iron binding site 3 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Nicotine
 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 2A13 in Complex with Nicotine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe500
b:22.4
occ:1.00
|
FE
|
C:HEM500
|
0.0
|
22.4
|
1.0
|
|
NA
|
C:HEM500
|
2.0
|
24.9
|
1.0
|
|
NC
|
C:HEM500
|
2.1
|
27.8
|
1.0
|
|
ND
|
C:HEM500
|
2.2
|
28.4
|
1.0
|
|
NB
|
C:HEM500
|
2.2
|
25.3
|
1.0
|
|
SG
|
C:CYS439
|
2.2
|
22.3
|
1.0
|
|
C4A
|
C:HEM500
|
3.0
|
23.6
|
1.0
|
|
C1A
|
C:HEM500
|
3.0
|
25.1
|
1.0
|
|
C4C
|
C:HEM500
|
3.1
|
25.8
|
1.0
|
|
C1D
|
C:HEM500
|
3.1
|
24.1
|
1.0
|
|
C4D
|
C:HEM500
|
3.1
|
24.9
|
1.0
|
|
C1C
|
C:HEM500
|
3.1
|
24.3
|
1.0
|
|
C4B
|
C:HEM500
|
3.1
|
19.6
|
1.0
|
|
C1B
|
C:HEM500
|
3.1
|
19.8
|
1.0
|
|
CHA
|
C:HEM500
|
3.4
|
26.4
|
1.0
|
|
CHB
|
C:HEM500
|
3.4
|
18.4
|
1.0
|
|
CHD
|
C:HEM500
|
3.4
|
24.7
|
1.0
|
|
CHC
|
C:HEM500
|
3.4
|
24.8
|
1.0
|
|
CB
|
C:CYS439
|
3.6
|
23.1
|
1.0
|
|
C3A
|
C:HEM500
|
4.2
|
23.3
|
1.0
|
|
C2A
|
C:HEM500
|
4.2
|
23.2
|
1.0
|
|
C9
|
C:NCT501
|
4.3
|
67.0
|
1.0
|
|
C3C
|
C:HEM500
|
4.3
|
25.4
|
1.0
|
|
C2D
|
C:HEM500
|
4.3
|
26.7
|
1.0
|
|
C3D
|
C:HEM500
|
4.4
|
27.6
|
1.0
|
|
C2C
|
C:HEM500
|
4.4
|
24.5
|
1.0
|
|
C2B
|
C:HEM500
|
4.4
|
23.9
|
1.0
|
|
C3B
|
C:HEM500
|
4.4
|
22.2
|
1.0
|
|
CA
|
C:CYS439
|
4.5
|
24.1
|
1.0
|
|
C8
|
C:NCT501
|
4.7
|
68.5
|
1.0
|
|
N
|
C:GLY441
|
4.9
|
22.6
|
1.0
|
|
CB
|
C:ALA301
|
4.9
|
33.8
|
1.0
|
|
Iron binding site 4 out
of 8 in 4ejg
Go back to
Iron Binding Sites List in 4ejg
Iron binding site 4 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Nicotine
 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 2A13 in Complex with Nicotine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe500
b:26.8
occ:1.00
|
FE
|
D:HEM500
|
0.0
|
26.8
|
1.0
|
|
NB
|
D:HEM500
|
2.0
|
26.7
|
1.0
|
|
ND
|
D:HEM500
|
2.0
|
26.8
|
1.0
|
|
NA
|
D:HEM500
|
2.0
|
28.9
|
1.0
|
|
NC
|
D:HEM500
|
2.1
|
27.4
|
1.0
|
|
SG
|
D:CYS439
|
2.3
|
18.4
|
1.0
|
|
C1B
|
D:HEM500
|
3.0
|
25.2
|
1.0
|
|
C1D
|
D:HEM500
|
3.0
|
25.1
|
1.0
|
|
C4A
|
D:HEM500
|
3.0
|
27.7
|
1.0
|
|
C4B
|
D:HEM500
|
3.0
|
26.6
|
1.0
|
|
C4C
|
D:HEM500
|
3.0
|
22.5
|
1.0
|
|
C4D
|
D:HEM500
|
3.1
|
26.1
|
1.0
|
|
C1A
|
D:HEM500
|
3.1
|
28.3
|
1.0
|
|
C1C
|
D:HEM500
|
3.1
|
24.8
|
1.0
|
|
CHB
|
D:HEM500
|
3.3
|
27.4
|
1.0
|
|
CHD
|
D:HEM500
|
3.4
|
22.7
|
1.0
|
|
CHA
|
D:HEM500
|
3.5
|
27.6
|
1.0
|
|
CHC
|
D:HEM500
|
3.5
|
26.6
|
1.0
|
|
CB
|
D:CYS439
|
3.5
|
24.4
|
1.0
|
|
C8
|
D:NCT501
|
4.0
|
82.9
|
1.0
|
|
C9
|
D:NCT501
|
4.2
|
81.5
|
1.0
|
|
C2B
|
D:HEM500
|
4.2
|
24.4
|
1.0
|
|
C3B
|
D:HEM500
|
4.2
|
24.4
|
1.0
|
|
C3C
|
D:HEM500
|
4.2
|
26.6
|
1.0
|
|
C2C
|
D:HEM500
|
4.3
|
27.2
|
1.0
|
|
C2D
|
D:HEM500
|
4.3
|
22.9
|
1.0
|
|
C3A
|
D:HEM500
|
4.3
|
28.3
|
1.0
|
|
C2A
|
D:HEM500
|
4.3
|
27.4
|
1.0
|
|
C3D
|
D:HEM500
|
4.3
|
22.6
|
1.0
|
|
CA
|
D:CYS439
|
4.4
|
24.4
|
1.0
|
|
N
|
D:GLY441
|
4.9
|
22.2
|
1.0
|
|
CA
|
D:GLY441
|
4.9
|
23.2
|
1.0
|
|
C7
|
D:NCT501
|
5.0
|
82.2
|
1.0
|
|
Iron binding site 5 out
of 8 in 4ejg
Go back to
Iron Binding Sites List in 4ejg
Iron binding site 5 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Nicotine
 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 2A13 in Complex with Nicotine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe500
b:34.6
occ:1.00
|
FE
|
E:HEM500
|
0.0
|
34.6
|
1.0
|
|
NB
|
E:HEM500
|
2.1
|
33.3
|
1.0
|
|
NA
|
E:HEM500
|
2.1
|
35.5
|
1.0
|
|
NC
|
E:HEM500
|
2.1
|
34.7
|
1.0
|
|
ND
|
E:HEM500
|
2.1
|
35.5
|
1.0
|
|
SG
|
E:CYS439
|
2.2
|
38.0
|
1.0
|
|
C1C
|
E:HEM500
|
3.0
|
33.5
|
1.0
|
|
C4B
|
E:HEM500
|
3.1
|
32.1
|
1.0
|
|
C4D
|
E:HEM500
|
3.1
|
34.2
|
1.0
|
|
C1A
|
E:HEM500
|
3.1
|
35.4
|
1.0
|
|
C1B
|
E:HEM500
|
3.1
|
31.9
|
1.0
|
|
C4A
|
E:HEM500
|
3.1
|
34.0
|
1.0
|
|
C4C
|
E:HEM500
|
3.1
|
31.7
|
1.0
|
|
C1D
|
E:HEM500
|
3.2
|
34.8
|
1.0
|
|
CHC
|
E:HEM500
|
3.4
|
31.3
|
1.0
|
|
CHA
|
E:HEM500
|
3.4
|
34.7
|
1.0
|
|
CHB
|
E:HEM500
|
3.5
|
33.9
|
1.0
|
|
CHD
|
E:HEM500
|
3.5
|
33.9
|
1.0
|
|
CB
|
E:CYS439
|
3.6
|
40.0
|
1.0
|
|
C2C
|
E:HEM500
|
4.3
|
31.5
|
1.0
|
|
C3B
|
E:HEM500
|
4.3
|
30.5
|
1.0
|
|
C3D
|
E:HEM500
|
4.3
|
34.6
|
1.0
|
|
C2A
|
E:HEM500
|
4.3
|
34.9
|
1.0
|
|
C3C
|
E:HEM500
|
4.3
|
32.8
|
1.0
|
|
C2B
|
E:HEM500
|
4.3
|
30.8
|
1.0
|
|
C3A
|
E:HEM500
|
4.3
|
35.7
|
1.0
|
|
C2D
|
E:HEM500
|
4.4
|
35.9
|
1.0
|
|
CA
|
E:CYS439
|
4.5
|
40.1
|
1.0
|
|
CB
|
E:ALA301
|
4.9
|
41.8
|
1.0
|
|
O
|
E:ALA301
|
5.0
|
42.4
|
1.0
|
|
N
|
E:GLY441
|
5.0
|
38.7
|
1.0
|
|
Iron binding site 6 out
of 8 in 4ejg
Go back to
Iron Binding Sites List in 4ejg
Iron binding site 6 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Nicotine
 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 2A13 in Complex with Nicotine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe500
b:48.2
occ:1.00
|
FE
|
F:HEM500
|
0.0
|
48.2
|
1.0
|
|
NA
|
F:HEM500
|
2.0
|
49.1
|
1.0
|
|
NB
|
F:HEM500
|
2.1
|
48.8
|
1.0
|
|
NC
|
F:HEM500
|
2.1
|
51.3
|
1.0
|
|
ND
|
F:HEM500
|
2.2
|
49.9
|
1.0
|
|
SG
|
F:CYS439
|
2.3
|
48.7
|
1.0
|
|
C4A
|
F:HEM500
|
3.0
|
48.4
|
1.0
|
|
C1A
|
F:HEM500
|
3.0
|
49.2
|
1.0
|
|
C1B
|
F:HEM500
|
3.1
|
47.5
|
1.0
|
|
C4B
|
F:HEM500
|
3.1
|
48.7
|
1.0
|
|
C4C
|
F:HEM500
|
3.1
|
50.4
|
1.0
|
|
C1D
|
F:HEM500
|
3.1
|
50.1
|
1.0
|
|
C1C
|
F:HEM500
|
3.1
|
50.0
|
1.0
|
|
C4D
|
F:HEM500
|
3.2
|
48.7
|
1.0
|
|
CHB
|
F:HEM500
|
3.4
|
48.0
|
1.0
|
|
CHD
|
F:HEM500
|
3.4
|
50.8
|
1.0
|
|
CHA
|
F:HEM500
|
3.5
|
48.3
|
1.0
|
|
CHC
|
F:HEM500
|
3.5
|
49.7
|
1.0
|
|
CB
|
F:CYS439
|
3.6
|
49.6
|
1.0
|
|
C3A
|
F:HEM500
|
4.2
|
48.2
|
1.0
|
|
C2A
|
F:HEM500
|
4.3
|
48.8
|
1.0
|
|
C2B
|
F:HEM500
|
4.3
|
48.4
|
1.0
|
|
C3B
|
F:HEM500
|
4.3
|
47.9
|
1.0
|
|
C2C
|
F:HEM500
|
4.4
|
50.1
|
1.0
|
|
C3C
|
F:HEM500
|
4.4
|
50.9
|
1.0
|
|
C2D
|
F:HEM500
|
4.4
|
49.8
|
1.0
|
|
C3D
|
F:HEM500
|
4.4
|
48.7
|
1.0
|
|
CA
|
F:CYS439
|
4.5
|
49.9
|
1.0
|
|
CB
|
F:ALA301
|
4.8
|
56.1
|
1.0
|
|
Iron binding site 7 out
of 8 in 4ejg
Go back to
Iron Binding Sites List in 4ejg
Iron binding site 7 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Nicotine
 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 2A13 in Complex with Nicotine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe500
b:39.3
occ:1.00
|
FE
|
G:HEM500
|
0.0
|
39.3
|
1.0
|
|
NB
|
G:HEM500
|
2.0
|
39.9
|
1.0
|
|
NA
|
G:HEM500
|
2.1
|
40.5
|
1.0
|
|
NC
|
G:HEM500
|
2.1
|
39.8
|
1.0
|
|
ND
|
G:HEM500
|
2.1
|
38.3
|
1.0
|
|
SG
|
G:CYS439
|
2.3
|
40.8
|
1.0
|
|
C4B
|
G:HEM500
|
3.0
|
40.0
|
1.0
|
|
C1C
|
G:HEM500
|
3.0
|
38.1
|
1.0
|
|
C1A
|
G:HEM500
|
3.0
|
37.4
|
1.0
|
|
C4D
|
G:HEM500
|
3.1
|
35.9
|
1.0
|
|
C1B
|
G:HEM500
|
3.1
|
37.9
|
1.0
|
|
C4A
|
G:HEM500
|
3.1
|
40.3
|
1.0
|
|
C4C
|
G:HEM500
|
3.1
|
40.2
|
1.0
|
|
C1D
|
G:HEM500
|
3.2
|
36.8
|
1.0
|
|
CHC
|
G:HEM500
|
3.3
|
39.1
|
1.0
|
|
CHA
|
G:HEM500
|
3.3
|
35.5
|
1.0
|
|
CB
|
G:CYS439
|
3.4
|
42.4
|
1.0
|
|
CHB
|
G:HEM500
|
3.5
|
39.7
|
1.0
|
|
CHD
|
G:HEM500
|
3.5
|
38.8
|
1.0
|
|
CB
|
G:ALA301
|
4.2
|
67.3
|
1.0
|
|
C3B
|
G:HEM500
|
4.2
|
39.2
|
1.0
|
|
C2C
|
G:HEM500
|
4.3
|
41.1
|
1.0
|
|
C2A
|
G:HEM500
|
4.3
|
40.7
|
1.0
|
|
C2B
|
G:HEM500
|
4.3
|
37.8
|
1.0
|
|
C3A
|
G:HEM500
|
4.3
|
40.4
|
1.0
|
|
O
|
G:ALA301
|
4.3
|
68.9
|
1.0
|
|
C3C
|
G:HEM500
|
4.3
|
40.3
|
1.0
|
|
C3D
|
G:HEM500
|
4.3
|
37.4
|
1.0
|
|
CA
|
G:CYS439
|
4.4
|
43.0
|
1.0
|
|
C2D
|
G:HEM500
|
4.4
|
37.2
|
1.0
|
|
C
|
G:ALA301
|
5.0
|
68.4
|
1.0
|
|
CA
|
G:ALA301
|
5.0
|
68.0
|
1.0
|
|
Iron binding site 8 out
of 8 in 4ejg
Go back to
Iron Binding Sites List in 4ejg
Iron binding site 8 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Nicotine
 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 2A13 in Complex with Nicotine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe501
b:61.6
occ:1.00
|
FE
|
H:HEM501
|
0.0
|
61.6
|
1.0
|
|
NA
|
H:HEM501
|
2.0
|
63.3
|
1.0
|
|
NB
|
H:HEM501
|
2.0
|
60.6
|
1.0
|
|
NC
|
H:HEM501
|
2.1
|
60.9
|
1.0
|
|
ND
|
H:HEM501
|
2.2
|
62.5
|
1.0
|
|
SG
|
H:CYS439
|
2.8
|
68.2
|
1.0
|
|
C4A
|
H:HEM501
|
3.0
|
63.8
|
1.0
|
|
C1A
|
H:HEM501
|
3.0
|
63.3
|
1.0
|
|
C1B
|
H:HEM501
|
3.0
|
60.9
|
1.0
|
|
C4B
|
H:HEM501
|
3.1
|
61.0
|
1.0
|
|
C4D
|
H:HEM501
|
3.1
|
62.6
|
1.0
|
|
C1C
|
H:HEM501
|
3.1
|
59.6
|
1.0
|
|
C4C
|
H:HEM501
|
3.2
|
60.3
|
1.0
|
|
C1D
|
H:HEM501
|
3.2
|
60.6
|
1.0
|
|
CHB
|
H:HEM501
|
3.3
|
63.3
|
1.0
|
|
CHA
|
H:HEM501
|
3.4
|
63.2
|
1.0
|
|
CHC
|
H:HEM501
|
3.5
|
59.9
|
1.0
|
|
CHD
|
H:HEM501
|
3.6
|
60.6
|
1.0
|
|
CB
|
H:CYS439
|
3.8
|
70.1
|
1.0
|
|
CB
|
H:ALA301
|
3.9
|
64.3
|
1.0
|
|
C3A
|
H:HEM501
|
4.2
|
64.0
|
1.0
|
|
C2A
|
H:HEM501
|
4.2
|
64.0
|
1.0
|
|
C2B
|
H:HEM501
|
4.2
|
61.7
|
1.0
|
|
C3B
|
H:HEM501
|
4.2
|
62.2
|
1.0
|
|
C2C
|
H:HEM501
|
4.3
|
59.2
|
1.0
|
|
C3D
|
H:HEM501
|
4.4
|
61.5
|
1.0
|
|
C3C
|
H:HEM501
|
4.4
|
58.9
|
1.0
|
|
O
|
H:ALA301
|
4.4
|
63.9
|
1.0
|
|
C2D
|
H:HEM501
|
4.4
|
60.6
|
1.0
|
|
CA
|
H:CYS439
|
4.7
|
70.1
|
1.0
|
|
CA
|
H:ALA301
|
4.9
|
64.3
|
1.0
|
|
C
|
H:ALA301
|
4.9
|
64.3
|
1.0
|
|
Reference:
N.M.Devore,
E.E.Scott.
Nicotine and 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone Binding and Access Channel in Human Cytochrome P450 2A6 and 2A13 Enzymes. J.Biol.Chem. V. 287 26576 2012.
ISSN: ISSN 0021-9258
PubMed: 22700965
DOI: 10.1074/JBC.M112.372813
Page generated: Mon Aug 5 01:39:44 2024
|
