Iron in PDB 6vlt: Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Enzymatic activity of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Protein crystallography data
The structure of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan, PDB code: 6vlt
was solved by
M.B.Shah,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.01 /
3.12
|
Space group
|
P 31
|
Cell size a, b, c (Å), α, β, γ (°)
|
238.100,
238.100,
109.851,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
15.6 /
22.1
|
Other elements in 6vlt:
The structure of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
(pdb code 6vlt). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan, PDB code: 6vlt:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 6vlt
Go back to
Iron Binding Sites List in 6vlt
Iron binding site 1 out
of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:49.0
occ:1.00
|
FE
|
A:HEM501
|
0.0
|
49.0
|
1.0
|
ND
|
A:HEM501
|
1.8
|
52.5
|
1.0
|
NA
|
A:HEM501
|
1.9
|
52.9
|
1.0
|
NC
|
A:HEM501
|
2.0
|
50.5
|
1.0
|
NB
|
A:HEM501
|
2.1
|
47.0
|
1.0
|
SG
|
A:CYS435
|
2.2
|
55.9
|
1.0
|
C4D
|
A:HEM501
|
2.8
|
51.5
|
1.0
|
C1D
|
A:HEM501
|
2.8
|
55.6
|
1.0
|
C1A
|
A:HEM501
|
2.9
|
52.1
|
1.0
|
C4C
|
A:HEM501
|
3.0
|
53.7
|
1.0
|
C4A
|
A:HEM501
|
3.0
|
52.8
|
1.0
|
C4B
|
A:HEM501
|
3.0
|
47.2
|
1.0
|
C1B
|
A:HEM501
|
3.0
|
51.5
|
1.0
|
C1C
|
A:HEM501
|
3.1
|
53.5
|
1.0
|
CHA
|
A:HEM501
|
3.3
|
52.3
|
1.0
|
CHD
|
A:HEM501
|
3.3
|
58.2
|
1.0
|
CHB
|
A:HEM501
|
3.4
|
52.6
|
1.0
|
CB
|
A:CYS435
|
3.4
|
57.5
|
1.0
|
CHC
|
A:HEM501
|
3.5
|
52.3
|
1.0
|
C4
|
A:LSN502
|
3.6
|
81.8
|
1.0
|
CA
|
A:CYS435
|
4.0
|
58.0
|
1.0
|
C3D
|
A:HEM501
|
4.0
|
52.0
|
1.0
|
C2D
|
A:HEM501
|
4.0
|
52.2
|
1.0
|
C2A
|
A:HEM501
|
4.1
|
50.9
|
1.0
|
C3A
|
A:HEM501
|
4.1
|
50.7
|
1.0
|
C3C
|
A:HEM501
|
4.2
|
55.4
|
1.0
|
C2C
|
A:HEM501
|
4.2
|
53.0
|
1.0
|
C2B
|
A:HEM501
|
4.2
|
51.1
|
1.0
|
C3B
|
A:HEM501
|
4.3
|
51.5
|
1.0
|
C3
|
A:LSN502
|
4.3
|
84.6
|
1.0
|
C5
|
A:LSN502
|
4.5
|
87.4
|
1.0
|
N
|
A:VAL436
|
4.7
|
59.2
|
1.0
|
C
|
A:CYS435
|
4.8
|
58.8
|
1.0
|
N
|
A:GLY437
|
4.9
|
55.9
|
1.0
|
CG2
|
A:THR301
|
5.0
|
67.4
|
1.0
|
|
Iron binding site 2 out
of 8 in 6vlt
Go back to
Iron Binding Sites List in 6vlt
Iron binding site 2 out
of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe501
b:51.7
occ:1.00
|
FE
|
B:HEM501
|
0.0
|
51.7
|
1.0
|
ND
|
B:HEM501
|
1.8
|
48.3
|
1.0
|
NA
|
B:HEM501
|
1.9
|
48.4
|
1.0
|
NC
|
B:HEM501
|
2.0
|
50.1
|
1.0
|
NB
|
B:HEM501
|
2.1
|
47.4
|
1.0
|
SG
|
B:CYS435
|
2.2
|
47.3
|
1.0
|
C1D
|
B:HEM501
|
2.8
|
49.4
|
1.0
|
C4D
|
B:HEM501
|
2.8
|
46.9
|
1.0
|
C1A
|
B:HEM501
|
2.9
|
46.7
|
1.0
|
C4C
|
B:HEM501
|
3.0
|
52.3
|
1.0
|
C4A
|
B:HEM501
|
3.0
|
48.2
|
1.0
|
C4B
|
B:HEM501
|
3.0
|
48.7
|
1.0
|
C1B
|
B:HEM501
|
3.0
|
47.9
|
1.0
|
C1C
|
B:HEM501
|
3.0
|
53.3
|
1.0
|
CHD
|
B:HEM501
|
3.3
|
49.7
|
1.0
|
CHA
|
B:HEM501
|
3.3
|
45.1
|
1.0
|
CHB
|
B:HEM501
|
3.4
|
50.3
|
1.0
|
CHC
|
B:HEM501
|
3.5
|
50.5
|
1.0
|
CB
|
B:CYS435
|
3.5
|
49.1
|
1.0
|
C4
|
B:LSN502
|
3.6
|
90.7
|
1.0
|
C2D
|
B:HEM501
|
4.0
|
49.8
|
1.0
|
C3D
|
B:HEM501
|
4.0
|
48.1
|
1.0
|
CA
|
B:CYS435
|
4.1
|
49.6
|
1.0
|
C2A
|
B:HEM501
|
4.1
|
46.5
|
1.0
|
C3A
|
B:HEM501
|
4.1
|
44.7
|
1.0
|
C3C
|
B:HEM501
|
4.2
|
58.6
|
1.0
|
C2C
|
B:HEM501
|
4.2
|
58.7
|
1.0
|
C2B
|
B:HEM501
|
4.2
|
46.9
|
1.0
|
C3B
|
B:HEM501
|
4.3
|
45.9
|
1.0
|
C3
|
B:LSN502
|
4.3
|
93.7
|
1.0
|
C5
|
B:LSN502
|
4.5
|
89.7
|
1.0
|
C
|
B:CYS435
|
4.8
|
51.8
|
1.0
|
N
|
B:VAL436
|
4.8
|
55.3
|
1.0
|
N
|
B:GLY437
|
5.0
|
56.2
|
1.0
|
|
Iron binding site 3 out
of 8 in 6vlt
Go back to
Iron Binding Sites List in 6vlt
Iron binding site 3 out
of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe501
b:47.8
occ:1.00
|
FE
|
C:HEM501
|
0.0
|
47.8
|
1.0
|
ND
|
C:HEM501
|
1.8
|
48.0
|
1.0
|
NA
|
C:HEM501
|
1.9
|
47.2
|
1.0
|
NC
|
C:HEM501
|
2.0
|
48.1
|
1.0
|
NB
|
C:HEM501
|
2.0
|
44.1
|
1.0
|
SG
|
C:CYS435
|
2.2
|
46.7
|
1.0
|
C4D
|
C:HEM501
|
2.8
|
46.2
|
1.0
|
C1D
|
C:HEM501
|
2.8
|
49.1
|
1.0
|
C1A
|
C:HEM501
|
2.9
|
45.0
|
1.0
|
C4A
|
C:HEM501
|
3.0
|
45.8
|
1.0
|
C4C
|
C:HEM501
|
3.0
|
49.9
|
1.0
|
C4B
|
C:HEM501
|
3.0
|
45.2
|
1.0
|
C1B
|
C:HEM501
|
3.0
|
45.1
|
1.0
|
C1C
|
C:HEM501
|
3.1
|
51.9
|
1.0
|
CHA
|
C:HEM501
|
3.3
|
44.0
|
1.0
|
CHD
|
C:HEM501
|
3.3
|
47.9
|
1.0
|
CHB
|
C:HEM501
|
3.4
|
45.0
|
1.0
|
CHC
|
C:HEM501
|
3.5
|
48.0
|
1.0
|
CB
|
C:CYS435
|
3.5
|
50.0
|
1.0
|
C4
|
C:LSN502
|
3.6
|
95.5
|
1.0
|
C2D
|
C:HEM501
|
4.0
|
50.7
|
1.0
|
C3D
|
C:HEM501
|
4.0
|
48.4
|
1.0
|
C2A
|
C:HEM501
|
4.1
|
47.0
|
1.0
|
C3A
|
C:HEM501
|
4.1
|
43.5
|
1.0
|
CA
|
C:CYS435
|
4.2
|
50.8
|
1.0
|
C3C
|
C:HEM501
|
4.2
|
53.9
|
1.0
|
C2B
|
C:HEM501
|
4.2
|
47.4
|
1.0
|
C2C
|
C:HEM501
|
4.2
|
55.9
|
1.0
|
C3B
|
C:HEM501
|
4.2
|
44.9
|
1.0
|
C3
|
C:LSN502
|
4.3
|
95.0
|
1.0
|
C5
|
C:LSN502
|
4.5
|
94.3
|
1.0
|
C
|
C:CYS435
|
4.8
|
51.5
|
1.0
|
CG2
|
C:THR301
|
4.9
|
72.3
|
1.0
|
N
|
C:VAL436
|
5.0
|
54.6
|
1.0
|
|
Iron binding site 4 out
of 8 in 6vlt
Go back to
Iron Binding Sites List in 6vlt
Iron binding site 4 out
of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe501
b:52.9
occ:1.00
|
FE
|
D:HEM501
|
0.0
|
52.9
|
1.0
|
ND
|
D:HEM501
|
1.8
|
55.0
|
1.0
|
NA
|
D:HEM501
|
1.9
|
52.7
|
1.0
|
NC
|
D:HEM501
|
2.0
|
55.4
|
1.0
|
NB
|
D:HEM501
|
2.0
|
51.1
|
1.0
|
SG
|
D:CYS435
|
2.2
|
52.8
|
1.0
|
C4D
|
D:HEM501
|
2.8
|
55.2
|
1.0
|
C1D
|
D:HEM501
|
2.8
|
54.1
|
1.0
|
C1A
|
D:HEM501
|
2.9
|
52.2
|
1.0
|
C4C
|
D:HEM501
|
3.0
|
58.5
|
1.0
|
C4A
|
D:HEM501
|
3.0
|
56.1
|
1.0
|
C4B
|
D:HEM501
|
3.0
|
52.8
|
1.0
|
C1B
|
D:HEM501
|
3.0
|
56.6
|
1.0
|
C1C
|
D:HEM501
|
3.1
|
54.5
|
1.0
|
CHA
|
D:HEM501
|
3.3
|
54.9
|
1.0
|
CHD
|
D:HEM501
|
3.3
|
57.7
|
1.0
|
CHB
|
D:HEM501
|
3.4
|
57.5
|
1.0
|
CHC
|
D:HEM501
|
3.5
|
55.5
|
1.0
|
C4
|
D:LSN502
|
3.5
|
85.9
|
1.0
|
CB
|
D:CYS435
|
3.6
|
58.4
|
1.0
|
C3D
|
D:HEM501
|
4.0
|
52.8
|
1.0
|
C2D
|
D:HEM501
|
4.0
|
53.8
|
1.0
|
C2A
|
D:HEM501
|
4.1
|
54.8
|
1.0
|
CA
|
D:CYS435
|
4.1
|
55.5
|
1.0
|
C3A
|
D:HEM501
|
4.1
|
54.0
|
1.0
|
C3C
|
D:HEM501
|
4.2
|
57.4
|
1.0
|
C3
|
D:LSN502
|
4.2
|
89.0
|
1.0
|
C2C
|
D:HEM501
|
4.2
|
53.7
|
1.0
|
C2B
|
D:HEM501
|
4.2
|
56.4
|
1.0
|
C3B
|
D:HEM501
|
4.2
|
59.0
|
1.0
|
C5
|
D:LSN502
|
4.4
|
88.7
|
1.0
|
N
|
D:VAL436
|
4.8
|
60.4
|
1.0
|
C
|
D:CYS435
|
4.8
|
58.2
|
1.0
|
N
|
D:GLY437
|
5.0
|
59.7
|
1.0
|
CG2
|
D:THR301
|
5.0
|
71.7
|
1.0
|
|
Iron binding site 5 out
of 8 in 6vlt
Go back to
Iron Binding Sites List in 6vlt
Iron binding site 5 out
of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe502
b:53.0
occ:1.00
|
FE
|
E:HEM502
|
0.0
|
53.0
|
1.0
|
ND
|
E:HEM502
|
1.7
|
44.3
|
1.0
|
NA
|
E:HEM502
|
2.0
|
46.1
|
1.0
|
NC
|
E:HEM502
|
2.0
|
45.4
|
1.0
|
NB
|
E:HEM502
|
2.1
|
46.2
|
1.0
|
SG
|
E:CYS435
|
2.2
|
55.1
|
1.0
|
C1D
|
E:HEM502
|
2.7
|
46.6
|
1.0
|
C4D
|
E:HEM502
|
2.7
|
45.6
|
1.0
|
C4C
|
E:HEM502
|
2.9
|
42.2
|
1.0
|
C1A
|
E:HEM502
|
2.9
|
46.9
|
1.0
|
C1C
|
E:HEM502
|
3.0
|
47.5
|
1.0
|
C4B
|
E:HEM502
|
3.0
|
45.2
|
1.0
|
C4A
|
E:HEM502
|
3.0
|
45.3
|
1.0
|
C1B
|
E:HEM502
|
3.1
|
47.4
|
1.0
|
CB
|
E:CYS435
|
3.1
|
64.5
|
1.0
|
CHD
|
E:HEM502
|
3.2
|
43.1
|
1.0
|
CHA
|
E:HEM502
|
3.3
|
46.3
|
1.0
|
CHC
|
E:HEM502
|
3.5
|
44.5
|
1.0
|
CHB
|
E:HEM502
|
3.5
|
42.8
|
1.0
|
C4
|
E:LSN503
|
3.6
|
96.8
|
1.0
|
C2D
|
E:HEM502
|
4.0
|
48.5
|
1.0
|
C3D
|
E:HEM502
|
4.0
|
48.9
|
1.0
|
CA
|
E:CYS435
|
4.0
|
64.5
|
1.0
|
C2A
|
E:HEM502
|
4.1
|
47.1
|
1.0
|
C3C
|
E:HEM502
|
4.1
|
48.5
|
1.0
|
C2C
|
E:HEM502
|
4.2
|
50.7
|
1.0
|
C3A
|
E:HEM502
|
4.2
|
49.0
|
1.0
|
C3
|
E:LSN503
|
4.2
|
94.1
|
1.0
|
C3B
|
E:HEM502
|
4.3
|
48.1
|
1.0
|
C2B
|
E:HEM502
|
4.3
|
48.8
|
1.0
|
C5
|
E:LSN503
|
4.5
|
93.3
|
1.0
|
C
|
E:CYS435
|
4.7
|
65.5
|
1.0
|
N
|
E:GLY437
|
4.8
|
62.6
|
1.0
|
N
|
E:VAL436
|
4.9
|
63.2
|
1.0
|
|
Iron binding site 6 out
of 8 in 6vlt
Go back to
Iron Binding Sites List in 6vlt
Iron binding site 6 out
of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe502
b:60.3
occ:1.00
|
FE
|
F:HEM502
|
0.0
|
60.3
|
1.0
|
ND
|
F:HEM502
|
1.8
|
54.5
|
1.0
|
NA
|
F:HEM502
|
1.9
|
55.0
|
1.0
|
NC
|
F:HEM502
|
2.0
|
53.8
|
1.0
|
NB
|
F:HEM502
|
2.0
|
51.1
|
1.0
|
SG
|
F:CYS435
|
2.2
|
54.9
|
1.0
|
C1D
|
F:HEM502
|
2.8
|
57.2
|
1.0
|
C4D
|
F:HEM502
|
2.8
|
54.4
|
1.0
|
C4C
|
F:HEM502
|
2.9
|
57.8
|
1.0
|
C1A
|
F:HEM502
|
2.9
|
51.5
|
1.0
|
C4A
|
F:HEM502
|
3.0
|
53.5
|
1.0
|
C1B
|
F:HEM502
|
3.0
|
51.3
|
1.0
|
C4B
|
F:HEM502
|
3.0
|
52.0
|
1.0
|
C1C
|
F:HEM502
|
3.0
|
58.1
|
1.0
|
CHD
|
F:HEM502
|
3.3
|
57.8
|
1.0
|
CHA
|
F:HEM502
|
3.3
|
53.5
|
1.0
|
CHB
|
F:HEM502
|
3.4
|
49.0
|
1.0
|
CB
|
F:CYS435
|
3.4
|
60.7
|
1.0
|
CHC
|
F:HEM502
|
3.5
|
56.8
|
1.0
|
C4
|
F:LSN503
|
3.7
|
86.5
|
1.0
|
C2D
|
F:HEM502
|
4.0
|
59.0
|
1.0
|
C3D
|
F:HEM502
|
4.1
|
56.9
|
1.0
|
CA
|
F:CYS435
|
4.1
|
62.2
|
1.0
|
C3A
|
F:HEM502
|
4.1
|
55.4
|
1.0
|
C2A
|
F:HEM502
|
4.1
|
49.1
|
1.0
|
C3C
|
F:HEM502
|
4.1
|
63.6
|
1.0
|
C2B
|
F:HEM502
|
4.2
|
53.4
|
1.0
|
C2C
|
F:HEM502
|
4.2
|
62.3
|
1.0
|
C3B
|
F:HEM502
|
4.2
|
51.7
|
1.0
|
C3
|
F:LSN503
|
4.3
|
89.4
|
1.0
|
C5
|
F:LSN503
|
4.6
|
87.6
|
1.0
|
C
|
F:CYS435
|
4.7
|
62.5
|
1.0
|
CG2
|
F:THR301
|
4.9
|
72.2
|
1.0
|
|
Iron binding site 7 out
of 8 in 6vlt
Go back to
Iron Binding Sites List in 6vlt
Iron binding site 7 out
of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe502
b:58.2
occ:1.00
|
FE
|
G:HEM502
|
0.0
|
58.2
|
1.0
|
ND
|
G:HEM502
|
1.8
|
54.7
|
1.0
|
NA
|
G:HEM502
|
1.9
|
53.3
|
1.0
|
NC
|
G:HEM502
|
2.0
|
50.5
|
1.0
|
NB
|
G:HEM502
|
2.1
|
46.4
|
1.0
|
SG
|
G:CYS435
|
2.2
|
60.0
|
1.0
|
C4D
|
G:HEM502
|
2.7
|
52.8
|
1.0
|
C1D
|
G:HEM502
|
2.8
|
55.5
|
1.0
|
C1A
|
G:HEM502
|
2.9
|
51.4
|
1.0
|
C4C
|
G:HEM502
|
3.0
|
54.6
|
1.0
|
C4A
|
G:HEM502
|
3.0
|
51.7
|
1.0
|
C4B
|
G:HEM502
|
3.0
|
48.7
|
1.0
|
C1B
|
G:HEM502
|
3.1
|
48.6
|
1.0
|
C1C
|
G:HEM502
|
3.1
|
54.5
|
1.0
|
CHA
|
G:HEM502
|
3.2
|
52.6
|
1.0
|
CHD
|
G:HEM502
|
3.3
|
55.8
|
1.0
|
CHB
|
G:HEM502
|
3.5
|
47.4
|
1.0
|
CHC
|
G:HEM502
|
3.5
|
54.4
|
1.0
|
CB
|
G:CYS435
|
3.6
|
62.5
|
1.0
|
C4
|
G:LSN503
|
3.7
|
96.7
|
1.0
|
C2D
|
G:HEM502
|
4.0
|
53.9
|
1.0
|
C3D
|
G:HEM502
|
4.0
|
54.9
|
1.0
|
C2A
|
G:HEM502
|
4.1
|
50.9
|
1.0
|
C3A
|
G:HEM502
|
4.1
|
54.1
|
1.0
|
CA
|
G:CYS435
|
4.2
|
63.7
|
1.0
|
C3C
|
G:HEM502
|
4.2
|
56.5
|
1.0
|
C2C
|
G:HEM502
|
4.2
|
59.4
|
1.0
|
C2B
|
G:HEM502
|
4.3
|
50.4
|
1.0
|
C3B
|
G:HEM502
|
4.3
|
49.6
|
1.0
|
C3
|
G:LSN503
|
4.4
|
98.9
|
1.0
|
C5
|
G:LSN503
|
4.5
|
94.0
|
1.0
|
N
|
G:GLY437
|
4.9
|
63.8
|
1.0
|
CB
|
G:ALA297
|
4.9
|
66.8
|
1.0
|
|
Iron binding site 8 out
of 8 in 6vlt
Go back to
Iron Binding Sites List in 6vlt
Iron binding site 8 out
of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe502
b:53.9
occ:1.00
|
FE
|
H:HEM502
|
0.0
|
53.9
|
1.0
|
ND
|
H:HEM502
|
1.9
|
47.1
|
1.0
|
NA
|
H:HEM502
|
2.0
|
48.2
|
1.0
|
NC
|
H:HEM502
|
2.1
|
48.0
|
1.0
|
NB
|
H:HEM502
|
2.1
|
48.8
|
1.0
|
SG
|
H:CYS435
|
2.2
|
58.4
|
1.0
|
C4D
|
H:HEM502
|
2.9
|
50.3
|
1.0
|
C1D
|
H:HEM502
|
2.9
|
50.7
|
1.0
|
C1A
|
H:HEM502
|
3.0
|
50.6
|
1.0
|
C4A
|
H:HEM502
|
3.0
|
49.0
|
1.0
|
C4B
|
H:HEM502
|
3.0
|
45.2
|
1.0
|
C1C
|
H:HEM502
|
3.1
|
48.4
|
1.0
|
C1B
|
H:HEM502
|
3.1
|
51.8
|
1.0
|
C4C
|
H:HEM502
|
3.1
|
46.2
|
1.0
|
CHA
|
H:HEM502
|
3.3
|
49.9
|
1.0
|
CHD
|
H:HEM502
|
3.4
|
47.8
|
1.0
|
CHC
|
H:HEM502
|
3.4
|
45.3
|
1.0
|
CHB
|
H:HEM502
|
3.4
|
49.3
|
1.0
|
CB
|
H:CYS435
|
3.6
|
66.6
|
1.0
|
C4
|
H:LSN503
|
3.7
|
90.5
|
1.0
|
CA
|
H:CYS435
|
4.1
|
69.2
|
1.0
|
C2D
|
H:HEM502
|
4.1
|
55.1
|
1.0
|
C3D
|
H:HEM502
|
4.1
|
54.5
|
1.0
|
C2A
|
H:HEM502
|
4.2
|
52.7
|
1.0
|
C3A
|
H:HEM502
|
4.2
|
53.3
|
1.0
|
C3
|
H:LSN503
|
4.3
|
90.6
|
1.0
|
C2C
|
H:HEM502
|
4.3
|
52.2
|
1.0
|
C3C
|
H:HEM502
|
4.3
|
51.3
|
1.0
|
C3B
|
H:HEM502
|
4.3
|
52.2
|
1.0
|
C2B
|
H:HEM502
|
4.4
|
51.9
|
1.0
|
C5
|
H:LSN503
|
4.5
|
91.5
|
1.0
|
C
|
H:CYS435
|
4.9
|
70.2
|
1.0
|
N
|
H:GLY437
|
4.9
|
61.8
|
1.0
|
N
|
H:VAL436
|
5.0
|
66.8
|
1.0
|
CB
|
H:ALA297
|
5.0
|
71.7
|
1.0
|
|
Reference:
S.J.Parikh,
C.M.Evans,
J.O.Obi,
Q.Zhang,
K.Maekawa,
K.C.Glass,
M.B.Shah.
Structure of Cytochrome P450 2C9*2 in Complex with Losartan: Insights Into the Effect of Genetic Polymorphism. Mol.Pharmacol. V. 98 529 2020.
ISSN: ESSN 1521-0111
PubMed: 32938720
DOI: 10.1124/MOLPHARM.120.000042
Page generated: Wed Aug 7 13:32:45 2024
|