Iron in PDB 3t3s: Human Cytochrome P450 2A13 in Complex with Pilocarpine
Enzymatic activity of Human Cytochrome P450 2A13 in Complex with Pilocarpine
All present enzymatic activity of Human Cytochrome P450 2A13 in Complex with Pilocarpine:
1.14.14.1;
Protein crystallography data
The structure of Human Cytochrome P450 2A13 in Complex with Pilocarpine, PDB code: 3t3s
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)
|
102.88 /
3.00
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.501,
119.862,
154.871,
101.01,
101.72,
93.59
|
|
R / Rfree (%)
|
21.3 /
30.3
|
Iron Binding Sites:
The binding sites of Iron atom in the Human Cytochrome P450 2A13 in Complex with Pilocarpine
(pdb code 3t3s). 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 Pilocarpine, PDB code: 3t3s:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 3t3s
Go back to
Iron Binding Sites List in 3t3s
Iron binding site 1 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Pilocarpine
 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 Pilocarpine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe500
b:36.0
occ:1.00
|
FE
|
A:HEM500
|
0.0
|
36.0
|
1.0
|
|
NB
|
A:HEM500
|
2.0
|
34.7
|
1.0
|
|
ND
|
A:HEM500
|
2.0
|
35.6
|
1.0
|
|
NC
|
A:HEM500
|
2.1
|
36.6
|
1.0
|
|
NA
|
A:HEM500
|
2.1
|
35.7
|
1.0
|
|
SG
|
A:CYS439
|
2.3
|
37.8
|
1.0
|
|
N3
|
A:9PL1
|
2.5
|
70.8
|
1.0
|
|
C1D
|
A:HEM500
|
3.0
|
35.4
|
1.0
|
|
C4B
|
A:HEM500
|
3.0
|
33.8
|
1.0
|
|
C4C
|
A:HEM500
|
3.0
|
34.4
|
1.0
|
|
C1B
|
A:HEM500
|
3.1
|
33.2
|
1.0
|
|
C4D
|
A:HEM500
|
3.1
|
34.2
|
1.0
|
|
C1C
|
A:HEM500
|
3.1
|
35.1
|
1.0
|
|
C1A
|
A:HEM500
|
3.1
|
33.4
|
1.0
|
|
C4A
|
A:HEM500
|
3.2
|
32.5
|
1.0
|
|
CHD
|
A:HEM500
|
3.4
|
34.2
|
1.0
|
|
CHC
|
A:HEM500
|
3.4
|
34.9
|
1.0
|
|
CHA
|
A:HEM500
|
3.5
|
34.1
|
1.0
|
|
C4
|
A:9PL1
|
3.5
|
71.4
|
1.0
|
|
CHB
|
A:HEM500
|
3.5
|
31.0
|
1.0
|
|
CB
|
A:CYS439
|
3.6
|
36.0
|
1.0
|
|
C2
|
A:9PL1
|
3.6
|
70.7
|
1.0
|
|
C3B
|
A:HEM500
|
4.2
|
34.1
|
1.0
|
|
C2D
|
A:HEM500
|
4.3
|
35.7
|
1.0
|
|
C3C
|
A:HEM500
|
4.3
|
33.4
|
1.0
|
|
C2B
|
A:HEM500
|
4.3
|
34.3
|
1.0
|
|
C3D
|
A:HEM500
|
4.3
|
35.9
|
1.0
|
|
C2C
|
A:HEM500
|
4.3
|
32.2
|
1.0
|
|
C2A
|
A:HEM500
|
4.4
|
30.8
|
1.0
|
|
C3A
|
A:HEM500
|
4.4
|
31.7
|
1.0
|
|
CA
|
A:CYS439
|
4.4
|
36.2
|
1.0
|
|
C5
|
A:9PL1
|
4.7
|
70.2
|
1.0
|
|
N1
|
A:9PL1
|
4.7
|
70.7
|
1.0
|
|
CB
|
A:ALA301
|
4.8
|
37.0
|
1.0
|
|
CA
|
A:GLY441
|
5.0
|
36.4
|
1.0
|
|
N
|
A:GLY441
|
5.0
|
36.5
|
1.0
|
|
Iron binding site 2 out
of 8 in 3t3s
Go back to
Iron Binding Sites List in 3t3s
Iron binding site 2 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Pilocarpine
 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 Pilocarpine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe500
b:36.9
occ:1.00
|
FE
|
B:HEM500
|
0.0
|
36.9
|
1.0
|
|
ND
|
B:HEM500
|
2.0
|
36.1
|
1.0
|
|
NA
|
B:HEM500
|
2.0
|
36.8
|
1.0
|
|
N3
|
B:9PL1
|
2.1
|
77.3
|
1.0
|
|
NC
|
B:HEM500
|
2.1
|
38.7
|
1.0
|
|
NB
|
B:HEM500
|
2.1
|
36.1
|
1.0
|
|
SG
|
B:CYS439
|
2.4
|
41.2
|
1.0
|
|
C4D
|
B:HEM500
|
2.9
|
35.2
|
1.0
|
|
C1A
|
B:HEM500
|
3.0
|
35.2
|
1.0
|
|
C1C
|
B:HEM500
|
3.1
|
37.8
|
1.0
|
|
C2
|
B:9PL1
|
3.1
|
76.1
|
1.0
|
|
C4
|
B:9PL1
|
3.1
|
76.8
|
1.0
|
|
C1D
|
B:HEM500
|
3.1
|
34.9
|
1.0
|
|
C4A
|
B:HEM500
|
3.1
|
34.6
|
1.0
|
|
C1B
|
B:HEM500
|
3.1
|
34.4
|
1.0
|
|
C4B
|
B:HEM500
|
3.1
|
33.5
|
1.0
|
|
C4C
|
B:HEM500
|
3.2
|
35.5
|
1.0
|
|
CHA
|
B:HEM500
|
3.3
|
34.9
|
1.0
|
|
CB
|
B:CYS439
|
3.4
|
40.8
|
1.0
|
|
CHC
|
B:HEM500
|
3.4
|
34.7
|
1.0
|
|
CHB
|
B:HEM500
|
3.5
|
33.4
|
1.0
|
|
CHD
|
B:HEM500
|
3.5
|
33.8
|
1.0
|
|
CA
|
B:CYS439
|
4.1
|
40.7
|
1.0
|
|
C3D
|
B:HEM500
|
4.2
|
34.5
|
1.0
|
|
N1
|
B:9PL1
|
4.2
|
75.7
|
1.0
|
|
C2A
|
B:HEM500
|
4.2
|
34.9
|
1.0
|
|
C5
|
B:9PL1
|
4.2
|
75.9
|
1.0
|
|
C2D
|
B:HEM500
|
4.3
|
33.7
|
1.0
|
|
C2C
|
B:HEM500
|
4.3
|
35.7
|
1.0
|
|
C3A
|
B:HEM500
|
4.3
|
34.9
|
1.0
|
|
C2B
|
B:HEM500
|
4.3
|
32.8
|
1.0
|
|
C3C
|
B:HEM500
|
4.4
|
35.6
|
1.0
|
|
C3B
|
B:HEM500
|
4.4
|
33.1
|
1.0
|
|
CB
|
B:ALA301
|
4.8
|
42.2
|
1.0
|
|
C
|
B:CYS439
|
4.9
|
41.3
|
1.0
|
|
N
|
B:GLY441
|
4.9
|
41.8
|
1.0
|
|
Iron binding site 3 out
of 8 in 3t3s
Go back to
Iron Binding Sites List in 3t3s
Iron binding site 3 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Pilocarpine
 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 Pilocarpine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe500
b:42.6
occ:1.00
|
FE
|
C:HEM500
|
0.0
|
42.6
|
1.0
|
|
NA
|
C:HEM500
|
2.0
|
42.2
|
1.0
|
|
NB
|
C:HEM500
|
2.1
|
43.9
|
1.0
|
|
ND
|
C:HEM500
|
2.1
|
42.6
|
1.0
|
|
NC
|
C:HEM500
|
2.1
|
42.2
|
1.0
|
|
SG
|
C:CYS439
|
2.4
|
33.7
|
1.0
|
|
N3
|
C:9PL1
|
2.6
|
76.4
|
1.0
|
|
C4
|
C:9PL1
|
2.8
|
76.2
|
1.0
|
|
CB
|
C:CYS439
|
2.9
|
34.8
|
1.0
|
|
C1A
|
C:HEM500
|
3.0
|
41.2
|
1.0
|
|
C4A
|
C:HEM500
|
3.0
|
39.5
|
1.0
|
|
C1B
|
C:HEM500
|
3.1
|
41.8
|
1.0
|
|
C4D
|
C:HEM500
|
3.1
|
41.3
|
1.0
|
|
C4B
|
C:HEM500
|
3.1
|
43.5
|
1.0
|
|
C1C
|
C:HEM500
|
3.1
|
40.0
|
1.0
|
|
C4C
|
C:HEM500
|
3.1
|
41.3
|
1.0
|
|
C1D
|
C:HEM500
|
3.2
|
42.1
|
1.0
|
|
CHA
|
C:HEM500
|
3.4
|
41.3
|
1.0
|
|
CHB
|
C:HEM500
|
3.4
|
39.7
|
1.0
|
|
CHC
|
C:HEM500
|
3.5
|
41.9
|
1.0
|
|
CHD
|
C:HEM500
|
3.5
|
41.9
|
1.0
|
|
C2
|
C:9PL1
|
3.9
|
75.0
|
1.0
|
|
C5
|
C:9PL1
|
4.2
|
75.7
|
1.0
|
|
CA
|
C:CYS439
|
4.2
|
35.0
|
1.0
|
|
C2A
|
C:HEM500
|
4.2
|
39.8
|
1.0
|
|
C3A
|
C:HEM500
|
4.3
|
38.3
|
1.0
|
|
C2B
|
C:HEM500
|
4.3
|
43.4
|
1.0
|
|
C3D
|
C:HEM500
|
4.3
|
40.3
|
1.0
|
|
C3B
|
C:HEM500
|
4.3
|
43.6
|
1.0
|
|
C2C
|
C:HEM500
|
4.3
|
38.4
|
1.0
|
|
C3C
|
C:HEM500
|
4.3
|
39.1
|
1.0
|
|
C2D
|
C:HEM500
|
4.4
|
41.5
|
1.0
|
|
N1
|
C:9PL1
|
4.6
|
75.0
|
1.0
|
|
CB
|
C:ALA301
|
5.0
|
38.6
|
1.0
|
|
C
|
C:CYS439
|
5.0
|
35.6
|
1.0
|
|
Iron binding site 4 out
of 8 in 3t3s
Go back to
Iron Binding Sites List in 3t3s
Iron binding site 4 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Pilocarpine
 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 Pilocarpine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe500
b:39.9
occ:1.00
|
FE
|
D:HEM500
|
0.0
|
39.9
|
1.0
|
|
NA
|
D:HEM500
|
2.0
|
39.5
|
1.0
|
|
NB
|
D:HEM500
|
2.0
|
40.5
|
1.0
|
|
ND
|
D:HEM500
|
2.1
|
40.3
|
1.0
|
|
N3
|
D:9PL1
|
2.1
|
65.1
|
1.0
|
|
NC
|
D:HEM500
|
2.1
|
39.5
|
1.0
|
|
SG
|
D:CYS439
|
2.3
|
43.0
|
1.0
|
|
C4A
|
D:HEM500
|
2.9
|
38.8
|
1.0
|
|
C1B
|
D:HEM500
|
3.0
|
39.1
|
1.0
|
|
C4
|
D:9PL1
|
3.0
|
64.5
|
1.0
|
|
C1A
|
D:HEM500
|
3.1
|
39.5
|
1.0
|
|
C4C
|
D:HEM500
|
3.1
|
38.1
|
1.0
|
|
C1D
|
D:HEM500
|
3.1
|
39.1
|
1.0
|
|
C4D
|
D:HEM500
|
3.1
|
40.6
|
1.0
|
|
C2
|
D:9PL1
|
3.1
|
63.5
|
1.0
|
|
C4B
|
D:HEM500
|
3.1
|
39.2
|
1.0
|
|
C1C
|
D:HEM500
|
3.2
|
38.3
|
1.0
|
|
CHB
|
D:HEM500
|
3.3
|
39.6
|
1.0
|
|
CB
|
D:CYS439
|
3.3
|
41.0
|
1.0
|
|
CHD
|
D:HEM500
|
3.4
|
38.0
|
1.0
|
|
CHA
|
D:HEM500
|
3.5
|
40.3
|
1.0
|
|
CHC
|
D:HEM500
|
3.6
|
37.2
|
1.0
|
|
C3A
|
D:HEM500
|
4.2
|
38.5
|
1.0
|
|
C5
|
D:9PL1
|
4.2
|
64.6
|
1.0
|
|
N1
|
D:9PL1
|
4.2
|
63.2
|
1.0
|
|
C2B
|
D:HEM500
|
4.2
|
35.9
|
1.0
|
|
C2A
|
D:HEM500
|
4.2
|
38.3
|
1.0
|
|
C2D
|
D:HEM500
|
4.3
|
38.9
|
1.0
|
|
C3B
|
D:HEM500
|
4.3
|
36.8
|
1.0
|
|
C3C
|
D:HEM500
|
4.3
|
37.2
|
1.0
|
|
C3D
|
D:HEM500
|
4.3
|
40.4
|
1.0
|
|
C2C
|
D:HEM500
|
4.4
|
37.8
|
1.0
|
|
CA
|
D:CYS439
|
4.4
|
40.9
|
1.0
|
|
CB
|
D:ALA301
|
4.8
|
37.4
|
1.0
|
|
Iron binding site 5 out
of 8 in 3t3s
Go back to
Iron Binding Sites List in 3t3s
Iron binding site 5 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Pilocarpine
 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 Pilocarpine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe500
b:61.7
occ:1.00
|
FE
|
E:HEM500
|
0.0
|
61.7
|
1.0
|
|
NA
|
E:HEM500
|
2.1
|
60.1
|
1.0
|
|
NC
|
E:HEM500
|
2.1
|
61.7
|
1.0
|
|
NB
|
E:HEM500
|
2.1
|
61.7
|
1.0
|
|
ND
|
E:HEM500
|
2.1
|
60.7
|
1.0
|
|
SG
|
E:CYS439
|
2.5
|
56.7
|
1.0
|
|
N3
|
E:9PL1
|
2.5
|
76.4
|
1.0
|
|
C4
|
E:9PL1
|
2.9
|
76.2
|
1.0
|
|
C1C
|
E:HEM500
|
3.1
|
61.1
|
1.0
|
|
C4D
|
E:HEM500
|
3.1
|
59.3
|
1.0
|
|
C1B
|
E:HEM500
|
3.1
|
60.1
|
1.0
|
|
C4A
|
E:HEM500
|
3.1
|
58.3
|
1.0
|
|
C1D
|
E:HEM500
|
3.1
|
60.0
|
1.0
|
|
C1A
|
E:HEM500
|
3.1
|
59.1
|
1.0
|
|
C4B
|
E:HEM500
|
3.1
|
61.0
|
1.0
|
|
C4C
|
E:HEM500
|
3.1
|
61.1
|
1.0
|
|
CHA
|
E:HEM500
|
3.4
|
59.5
|
1.0
|
|
CHB
|
E:HEM500
|
3.4
|
58.5
|
1.0
|
|
CHC
|
E:HEM500
|
3.4
|
60.9
|
1.0
|
|
CHD
|
E:HEM500
|
3.4
|
60.5
|
1.0
|
|
CB
|
E:CYS439
|
3.5
|
57.5
|
1.0
|
|
C2
|
E:9PL1
|
3.8
|
75.0
|
1.0
|
|
C5
|
E:9PL1
|
4.2
|
75.7
|
1.0
|
|
C3A
|
E:HEM500
|
4.3
|
57.4
|
1.0
|
|
C2A
|
E:HEM500
|
4.3
|
57.1
|
1.0
|
|
C2C
|
E:HEM500
|
4.3
|
60.5
|
1.0
|
|
C3C
|
E:HEM500
|
4.3
|
61.4
|
1.0
|
|
C2B
|
E:HEM500
|
4.3
|
60.3
|
1.0
|
|
C3B
|
E:HEM500
|
4.3
|
60.2
|
1.0
|
|
C3D
|
E:HEM500
|
4.3
|
56.7
|
1.0
|
|
C2D
|
E:HEM500
|
4.3
|
58.1
|
1.0
|
|
CA
|
E:CYS439
|
4.4
|
57.6
|
1.0
|
|
N1
|
E:9PL1
|
4.7
|
75.0
|
1.0
|
|
CB
|
E:ALA301
|
4.7
|
50.6
|
1.0
|
|
Iron binding site 6 out
of 8 in 3t3s
Go back to
Iron Binding Sites List in 3t3s
Iron binding site 6 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Pilocarpine
 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 Pilocarpine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe500
b:64.3
occ:1.00
|
FE
|
F:HEM500
|
0.0
|
64.3
|
1.0
|
|
NA
|
F:HEM500
|
2.0
|
63.2
|
1.0
|
|
ND
|
F:HEM500
|
2.0
|
62.8
|
1.0
|
|
NB
|
F:HEM500
|
2.1
|
63.9
|
1.0
|
|
NC
|
F:HEM500
|
2.1
|
64.8
|
1.0
|
|
N3
|
F:9PL1
|
2.2
|
74.8
|
1.0
|
|
SG
|
F:CYS439
|
2.4
|
56.7
|
1.0
|
|
C1D
|
F:HEM500
|
3.0
|
62.6
|
1.0
|
|
C4A
|
F:HEM500
|
3.0
|
62.9
|
1.0
|
|
C4
|
F:9PL1
|
3.1
|
75.8
|
1.0
|
|
C1A
|
F:HEM500
|
3.1
|
62.3
|
1.0
|
|
C4C
|
F:HEM500
|
3.1
|
64.0
|
1.0
|
|
C1B
|
F:HEM500
|
3.1
|
63.4
|
1.0
|
|
C4D
|
F:HEM500
|
3.1
|
61.3
|
1.0
|
|
C4B
|
F:HEM500
|
3.2
|
63.4
|
1.0
|
|
C1C
|
F:HEM500
|
3.2
|
63.6
|
1.0
|
|
C2
|
F:9PL1
|
3.3
|
74.2
|
1.0
|
|
CHD
|
F:HEM500
|
3.3
|
62.9
|
1.0
|
|
CHB
|
F:HEM500
|
3.4
|
63.8
|
1.0
|
|
CB
|
F:CYS439
|
3.5
|
57.1
|
1.0
|
|
CHA
|
F:HEM500
|
3.5
|
61.5
|
1.0
|
|
CHC
|
F:HEM500
|
3.6
|
62.8
|
1.0
|
|
C3A
|
F:HEM500
|
4.2
|
61.9
|
1.0
|
|
C2D
|
F:HEM500
|
4.2
|
61.4
|
1.0
|
|
C5
|
F:9PL1
|
4.3
|
75.2
|
1.0
|
|
C2A
|
F:HEM500
|
4.3
|
61.7
|
1.0
|
|
C3D
|
F:HEM500
|
4.3
|
60.4
|
1.0
|
|
C3C
|
F:HEM500
|
4.3
|
63.9
|
1.0
|
|
C2B
|
F:HEM500
|
4.3
|
63.5
|
1.0
|
|
C3B
|
F:HEM500
|
4.4
|
63.2
|
1.0
|
|
N1
|
F:9PL1
|
4.4
|
74.1
|
1.0
|
|
C2C
|
F:HEM500
|
4.4
|
63.7
|
1.0
|
|
CA
|
F:CYS439
|
4.4
|
57.1
|
1.0
|
|
CB
|
F:ALA301
|
4.7
|
58.6
|
1.0
|
|
Iron binding site 7 out
of 8 in 3t3s
Go back to
Iron Binding Sites List in 3t3s
Iron binding site 7 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Pilocarpine
 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 Pilocarpine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe500
b:60.7
occ:1.00
|
FE
|
G:HEM500
|
0.0
|
60.7
|
1.0
|
|
NC
|
G:HEM500
|
2.0
|
59.6
|
1.0
|
|
ND
|
G:HEM500
|
2.1
|
58.5
|
1.0
|
|
NB
|
G:HEM500
|
2.1
|
59.8
|
1.0
|
|
SG
|
G:CYS439
|
2.2
|
57.9
|
1.0
|
|
NA
|
G:HEM500
|
2.2
|
60.2
|
1.0
|
|
C4C
|
G:HEM500
|
2.9
|
58.6
|
1.0
|
|
C1C
|
G:HEM500
|
3.0
|
58.5
|
1.0
|
|
C1D
|
G:HEM500
|
3.0
|
57.4
|
1.0
|
|
C4B
|
G:HEM500
|
3.1
|
59.3
|
1.0
|
|
C4D
|
G:HEM500
|
3.2
|
57.9
|
1.0
|
|
C4A
|
G:HEM500
|
3.2
|
59.1
|
1.0
|
|
C1B
|
G:HEM500
|
3.2
|
59.5
|
1.0
|
|
C1A
|
G:HEM500
|
3.3
|
58.6
|
1.0
|
|
CHD
|
G:HEM500
|
3.3
|
57.6
|
1.0
|
|
CHC
|
G:HEM500
|
3.4
|
58.5
|
1.0
|
|
CB
|
G:CYS439
|
3.5
|
57.4
|
1.0
|
|
CHB
|
G:HEM500
|
3.5
|
59.7
|
1.0
|
|
CHA
|
G:HEM500
|
3.6
|
57.8
|
1.0
|
|
C3C
|
G:HEM500
|
4.1
|
58.2
|
1.0
|
|
C2C
|
G:HEM500
|
4.1
|
58.8
|
1.0
|
|
C2D
|
G:HEM500
|
4.3
|
56.8
|
1.0
|
|
C3B
|
G:HEM500
|
4.3
|
58.0
|
1.0
|
|
C2B
|
G:HEM500
|
4.3
|
58.3
|
1.0
|
|
C3D
|
G:HEM500
|
4.4
|
57.8
|
1.0
|
|
C3A
|
G:HEM500
|
4.4
|
57.6
|
1.0
|
|
C2A
|
G:HEM500
|
4.5
|
57.5
|
1.0
|
|
CA
|
G:CYS439
|
4.5
|
57.4
|
1.0
|
|
CB
|
G:ALA301
|
4.6
|
64.3
|
1.0
|
|
N
|
G:GLY441
|
4.9
|
58.1
|
1.0
|
|
CA
|
G:GLY441
|
4.9
|
58.3
|
1.0
|
|
Iron binding site 8 out
of 8 in 3t3s
Go back to
Iron Binding Sites List in 3t3s
Iron binding site 8 out
of 8 in the Human Cytochrome P450 2A13 in Complex with Pilocarpine
 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 Pilocarpine within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe500
b:84.2
occ:1.00
|
FE
|
H:HEM500
|
0.0
|
84.2
|
1.0
|
|
NA
|
H:HEM500
|
2.0
|
82.5
|
1.0
|
|
NC
|
H:HEM500
|
2.1
|
84.8
|
1.0
|
|
NB
|
H:HEM500
|
2.1
|
83.7
|
1.0
|
|
ND
|
H:HEM500
|
2.1
|
83.2
|
1.0
|
|
SG
|
H:CYS439
|
2.7
|
87.1
|
1.0
|
|
C1A
|
H:HEM500
|
3.0
|
82.1
|
1.0
|
|
C4D
|
H:HEM500
|
3.0
|
82.3
|
1.0
|
|
C1C
|
H:HEM500
|
3.1
|
85.0
|
1.0
|
|
C4B
|
H:HEM500
|
3.1
|
84.4
|
1.0
|
|
C4A
|
H:HEM500
|
3.1
|
81.9
|
1.0
|
|
C4C
|
H:HEM500
|
3.1
|
84.5
|
1.0
|
|
C1B
|
H:HEM500
|
3.1
|
83.5
|
1.0
|
|
C1D
|
H:HEM500
|
3.2
|
82.8
|
1.0
|
|
CHA
|
H:HEM500
|
3.3
|
82.2
|
1.0
|
|
CHC
|
H:HEM500
|
3.4
|
84.2
|
1.0
|
|
CHB
|
H:HEM500
|
3.5
|
82.1
|
1.0
|
|
CHD
|
H:HEM500
|
3.5
|
83.6
|
1.0
|
|
CB
|
H:CYS439
|
3.7
|
87.2
|
1.0
|
|
C2A
|
H:HEM500
|
4.2
|
81.8
|
1.0
|
|
C2C
|
H:HEM500
|
4.3
|
84.8
|
1.0
|
|
C3A
|
H:HEM500
|
4.3
|
81.8
|
1.0
|
|
C3D
|
H:HEM500
|
4.3
|
81.6
|
1.0
|
|
C3C
|
H:HEM500
|
4.3
|
84.4
|
1.0
|
|
C3B
|
H:HEM500
|
4.3
|
84.9
|
1.0
|
|
C2B
|
H:HEM500
|
4.3
|
85.0
|
1.0
|
|
C2D
|
H:HEM500
|
4.4
|
82.0
|
1.0
|
|
CB
|
H:ALA301
|
4.6
|
77.1
|
1.0
|
|
CA
|
H:CYS439
|
4.6
|
87.2
|
1.0
|
|
N
|
H:GLY441
|
4.9
|
87.9
|
1.0
|
|
CA
|
H:GLY441
|
5.0
|
88.1
|
1.0
|
|
Reference:
N.M.Devore,
K.M.Meneely,
A.G.Bart,
E.S.Stephens,
K.P.Battaile,
E.E.Scott.
Structural Comparison of Cytochromes P450 2A6, 2A13, and 2E1 with Pilocarpine. Febs J. V. 279 1621 2012.
ISSN: ISSN 1742-464X
PubMed: 22051186
DOI: 10.1111/J.1742-4658.2011.08412.X
Page generated: Sun Aug 4 20:12:31 2024
|
