Fluorine in PDB 6tev: The Structure of CYP121 in Complex with Inhibitor L44
Enzymatic activity of The Structure of CYP121 in Complex with Inhibitor L44
All present enzymatic activity of The Structure of CYP121 in Complex with Inhibitor L44:
1.14.19.70;
Protein crystallography data
The structure of The Structure of CYP121 in Complex with Inhibitor L44, PDB code: 6tev
was solved by
S.Adam,
J.Koehnke,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
41.53 /
1.70
|
|
Space group
|
P 65 2 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.555,
77.555,
264.188,
90,
90,
120
|
|
R / Rfree (%)
|
17.1 /
18.9
|
Other elements in 6tev:
The structure of The Structure of CYP121 in Complex with Inhibitor L44 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the The Structure of CYP121 in Complex with Inhibitor L44
(pdb code 6tev). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
The Structure of CYP121 in Complex with Inhibitor L44, PDB code: 6tev:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 6tev
Go back to
Fluorine Binding Sites List in 6tev
Fluorine binding site 1 out
of 6 in the The Structure of CYP121 in Complex with Inhibitor L44
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of The Structure of CYP121 in Complex with Inhibitor L44 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F901
b:78.6
occ:1.00
|
F01
|
A:N5W901
|
0.0
|
78.6
|
1.0
|
|
C02
|
A:N5W901
|
1.4
|
81.3
|
1.0
|
|
F03
|
A:N5W901
|
2.2
|
84.3
|
1.0
|
|
F04
|
A:N5W901
|
2.2
|
86.9
|
1.0
|
|
H191
|
A:N5W902
|
2.3
|
54.4
|
1.0
|
|
C05
|
A:N5W901
|
2.4
|
73.8
|
1.0
|
|
HMD
|
A:HEM905
|
3.0
|
20.6
|
1.0
|
|
C19
|
A:N5W902
|
3.1
|
45.3
|
1.0
|
|
H061
|
A:N5W901
|
3.1
|
85.1
|
1.0
|
|
HAD
|
A:HEM905
|
3.1
|
22.7
|
1.0
|
|
C06
|
A:N5W901
|
3.1
|
70.9
|
1.0
|
|
H132
|
A:N5W902
|
3.3
|
59.2
|
1.0
|
|
C22
|
A:N5W901
|
3.3
|
68.1
|
1.0
|
|
HMDB
|
A:HEM905
|
3.4
|
20.6
|
1.0
|
|
H221
|
A:N5W901
|
3.4
|
81.8
|
1.0
|
|
HB
|
A:THR229
|
3.4
|
20.9
|
1.0
|
|
H181
|
A:N5W902
|
3.5
|
54.4
|
1.0
|
|
CMD
|
A:HEM905
|
3.6
|
17.1
|
1.0
|
|
HB3
|
A:ASN85
|
3.8
|
42.0
|
1.0
|
|
CAD
|
A:HEM905
|
3.8
|
18.9
|
1.0
|
|
C12
|
A:N5W902
|
3.8
|
49.1
|
1.0
|
|
H201
|
A:N5W902
|
3.8
|
49.0
|
1.0
|
|
C20
|
A:N5W902
|
3.9
|
40.8
|
1.0
|
|
HADA
|
A:HEM905
|
3.9
|
22.7
|
1.0
|
|
C13
|
A:N5W902
|
3.9
|
49.3
|
1.0
|
|
C18
|
A:N5W902
|
4.1
|
45.3
|
1.0
|
|
C2D
|
A:HEM905
|
4.3
|
15.2
|
1.0
|
|
C07
|
A:N5W901
|
4.3
|
67.5
|
1.0
|
|
C3D
|
A:HEM905
|
4.3
|
16.3
|
1.0
|
|
CB
|
A:THR229
|
4.3
|
17.4
|
1.0
|
|
N14
|
A:N5W902
|
4.3
|
45.8
|
1.0
|
|
HB2
|
A:ALA233
|
4.4
|
18.0
|
1.0
|
|
HMDA
|
A:HEM905
|
4.5
|
20.6
|
1.0
|
|
C21
|
A:N5W901
|
4.5
|
64.9
|
1.0
|
|
HG21
|
A:THR229
|
4.5
|
21.1
|
1.0
|
|
CB
|
A:ASN85
|
4.6
|
34.9
|
1.0
|
|
OD1
|
A:ASN85
|
4.7
|
46.8
|
1.0
|
|
HG2
|
A:MET86
|
4.7
|
49.4
|
1.0
|
|
HB2
|
A:ASN85
|
4.7
|
42.0
|
1.0
|
|
O2D
|
A:HEM905
|
4.7
|
27.4
|
1.0
|
|
H131
|
A:N5W902
|
4.8
|
59.2
|
1.0
|
|
OG1
|
A:THR229
|
4.8
|
20.5
|
1.0
|
|
CG2
|
A:THR229
|
4.8
|
17.5
|
1.0
|
|
HG22
|
A:THR229
|
4.8
|
21.1
|
1.0
|
|
C08
|
A:N5W901
|
4.9
|
65.1
|
1.0
|
|
H071
|
A:N5W901
|
5.0
|
81.0
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 6tev
Go back to
Fluorine Binding Sites List in 6tev
Fluorine binding site 2 out
of 6 in the The Structure of CYP121 in Complex with Inhibitor L44
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of The Structure of CYP121 in Complex with Inhibitor L44 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F901
b:84.3
occ:1.00
|
F03
|
A:N5W901
|
0.0
|
84.3
|
1.0
|
|
C02
|
A:N5W901
|
1.4
|
81.3
|
1.0
|
|
HB3
|
A:ASN85
|
2.2
|
42.0
|
1.0
|
|
F01
|
A:N5W901
|
2.2
|
78.6
|
1.0
|
|
F04
|
A:N5W901
|
2.3
|
86.9
|
1.0
|
|
C05
|
A:N5W901
|
2.3
|
73.8
|
1.0
|
|
H061
|
A:N5W901
|
2.4
|
85.1
|
1.0
|
|
C06
|
A:N5W901
|
2.7
|
70.9
|
1.0
|
|
HAD
|
A:HEM905
|
3.1
|
22.7
|
1.0
|
|
CB
|
A:ASN85
|
3.1
|
34.9
|
1.0
|
|
H
|
A:ASN85
|
3.3
|
34.3
|
1.0
|
|
H
|
A:MET86
|
3.3
|
40.6
|
1.0
|
|
O
|
A:HOH1201
|
3.4
|
28.9
|
1.0
|
|
HB2
|
A:ASN85
|
3.4
|
42.0
|
1.0
|
|
HG2
|
A:MET86
|
3.4
|
49.4
|
1.0
|
|
O2D
|
A:HEM905
|
3.6
|
27.4
|
1.0
|
|
C22
|
A:N5W901
|
3.6
|
68.1
|
1.0
|
|
HMD
|
A:HEM905
|
3.7
|
20.6
|
1.0
|
|
O
|
A:VAL82
|
3.9
|
31.4
|
1.0
|
|
N
|
A:ASN85
|
3.9
|
28.6
|
1.0
|
|
H221
|
A:N5W901
|
3.9
|
81.8
|
1.0
|
|
N
|
A:MET86
|
3.9
|
33.8
|
1.0
|
|
OD1
|
A:ASN85
|
4.0
|
46.8
|
1.0
|
|
CA
|
A:ASN85
|
4.0
|
31.8
|
1.0
|
|
CAD
|
A:HEM905
|
4.0
|
18.9
|
1.0
|
|
CG
|
A:ASN85
|
4.0
|
39.6
|
1.0
|
|
C07
|
A:N5W901
|
4.0
|
67.5
|
1.0
|
|
HADA
|
A:HEM905
|
4.1
|
22.7
|
1.0
|
|
O
|
A:VAL83
|
4.3
|
33.5
|
1.0
|
|
CG
|
A:MET86
|
4.3
|
41.2
|
1.0
|
|
C
|
A:ASN85
|
4.4
|
31.2
|
1.0
|
|
CGD
|
A:HEM905
|
4.4
|
24.5
|
1.0
|
|
H132
|
A:N5W902
|
4.4
|
59.2
|
1.0
|
|
H191
|
A:N5W902
|
4.5
|
54.4
|
1.0
|
|
HB2
|
A:MET86
|
4.6
|
47.9
|
1.0
|
|
H071
|
A:N5W901
|
4.6
|
81.0
|
1.0
|
|
HG3
|
A:MET86
|
4.6
|
49.4
|
1.0
|
|
CMD
|
A:HEM905
|
4.6
|
17.1
|
1.0
|
|
C21
|
A:N5W901
|
4.7
|
64.9
|
1.0
|
|
HMDB
|
A:HEM905
|
4.7
|
20.6
|
1.0
|
|
H181
|
A:N5W902
|
4.7
|
54.4
|
1.0
|
|
CBD
|
A:HEM905
|
4.7
|
21.0
|
1.0
|
|
HB
|
A:THR229
|
4.8
|
20.9
|
1.0
|
|
HA
|
A:VAL83
|
4.8
|
29.9
|
1.0
|
|
C
|
A:VAL83
|
4.8
|
29.1
|
1.0
|
|
HG12
|
A:VAL82
|
4.8
|
35.1
|
1.0
|
|
HA
|
A:ASN85
|
4.8
|
38.2
|
1.0
|
|
CB
|
A:MET86
|
4.8
|
39.9
|
1.0
|
|
C08
|
A:N5W901
|
4.9
|
65.1
|
1.0
|
|
CA
|
A:MET86
|
4.9
|
37.6
|
1.0
|
|
HBDA
|
A:HEM905
|
4.9
|
25.2
|
1.0
|
|
C
|
A:ASN84
|
5.0
|
29.3
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 6tev
Go back to
Fluorine Binding Sites List in 6tev
Fluorine binding site 3 out
of 6 in the The Structure of CYP121 in Complex with Inhibitor L44
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of The Structure of CYP121 in Complex with Inhibitor L44 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F901
b:86.9
occ:1.00
|
F04
|
A:N5W901
|
0.0
|
86.9
|
1.0
|
|
C02
|
A:N5W901
|
1.4
|
81.3
|
1.0
|
|
F01
|
A:N5W901
|
2.2
|
78.6
|
1.0
|
|
F03
|
A:N5W901
|
2.3
|
84.3
|
1.0
|
|
C05
|
A:N5W901
|
2.4
|
73.8
|
1.0
|
|
H221
|
A:N5W901
|
2.5
|
81.8
|
1.0
|
|
HB3
|
A:ASN85
|
2.5
|
42.0
|
1.0
|
|
HB2
|
A:ASN85
|
2.8
|
42.0
|
1.0
|
|
C22
|
A:N5W901
|
2.8
|
68.1
|
1.0
|
|
HG21
|
A:THR229
|
2.9
|
21.1
|
1.0
|
|
CB
|
A:ASN85
|
3.0
|
34.9
|
1.0
|
|
HG12
|
A:VAL82
|
3.0
|
35.1
|
1.0
|
|
HB
|
A:THR229
|
3.2
|
20.9
|
1.0
|
|
O
|
A:VAL82
|
3.2
|
31.4
|
1.0
|
|
HG13
|
A:VAL82
|
3.5
|
35.1
|
1.0
|
|
CG2
|
A:THR229
|
3.6
|
17.5
|
1.0
|
|
CG
|
A:ASN85
|
3.6
|
39.6
|
1.0
|
|
C06
|
A:N5W901
|
3.6
|
70.9
|
1.0
|
|
CG1
|
A:VAL82
|
3.7
|
29.3
|
1.0
|
|
OD1
|
A:ASN85
|
3.7
|
46.8
|
1.0
|
|
HG22
|
A:THR229
|
3.7
|
21.1
|
1.0
|
|
CB
|
A:THR229
|
3.8
|
17.4
|
1.0
|
|
H191
|
A:N5W902
|
3.8
|
54.4
|
1.0
|
|
H061
|
A:N5W901
|
3.9
|
85.1
|
1.0
|
|
H
|
A:ASN85
|
3.9
|
34.3
|
1.0
|
|
HG11
|
A:VAL82
|
4.1
|
35.1
|
1.0
|
|
C19
|
A:N5W902
|
4.1
|
45.3
|
1.0
|
|
C21
|
A:N5W901
|
4.2
|
64.9
|
1.0
|
|
OG1
|
A:THR229
|
4.2
|
20.5
|
1.0
|
|
H201
|
A:N5W902
|
4.3
|
49.0
|
1.0
|
|
C
|
A:VAL82
|
4.3
|
27.5
|
1.0
|
|
CA
|
A:ASN85
|
4.4
|
31.8
|
1.0
|
|
C20
|
A:N5W902
|
4.4
|
40.8
|
1.0
|
|
HG23
|
A:THR229
|
4.4
|
21.1
|
1.0
|
|
N
|
A:ASN85
|
4.5
|
28.6
|
1.0
|
|
ND2
|
A:ASN85
|
4.6
|
35.0
|
1.0
|
|
H132
|
A:N5W902
|
4.6
|
59.2
|
1.0
|
|
HMD
|
A:HEM905
|
4.6
|
20.6
|
1.0
|
|
HA
|
A:VAL83
|
4.7
|
29.9
|
1.0
|
|
H211
|
A:N5W901
|
4.7
|
77.9
|
1.0
|
|
C07
|
A:N5W901
|
4.8
|
67.5
|
1.0
|
|
HD22
|
A:ASN85
|
4.8
|
42.1
|
1.0
|
|
HAD
|
A:HEM905
|
4.8
|
22.7
|
1.0
|
|
HG1
|
A:THR229
|
4.8
|
24.6
|
1.0
|
|
C12
|
A:N5W902
|
4.8
|
49.1
|
1.0
|
|
HA
|
A:ASN85
|
5.0
|
38.2
|
1.0
|
|
CB
|
A:VAL82
|
5.0
|
26.5
|
1.0
|
|
C08
|
A:N5W901
|
5.0
|
65.1
|
1.0
|
|
H
|
A:MET86
|
5.0
|
40.6
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 6tev
Go back to
Fluorine Binding Sites List in 6tev
Fluorine binding site 4 out
of 6 in the The Structure of CYP121 in Complex with Inhibitor L44
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of The Structure of CYP121 in Complex with Inhibitor L44 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F902
b:69.1
occ:1.00
|
F01
|
A:N5W902
|
0.0
|
69.1
|
1.0
|
|
C02
|
A:N5W902
|
1.4
|
63.9
|
1.0
|
|
F04
|
A:N5W902
|
2.2
|
69.4
|
1.0
|
|
F03
|
A:N5W902
|
2.2
|
66.6
|
1.0
|
|
H061
|
A:N5W902
|
2.4
|
40.2
|
1.0
|
|
C05
|
A:N5W902
|
2.4
|
45.6
|
1.0
|
|
O
|
A:HOH1063
|
2.4
|
22.3
|
1.0
|
|
HB2
|
A:ALA167
|
2.6
|
22.3
|
1.0
|
|
C06
|
A:N5W902
|
2.7
|
33.5
|
1.0
|
|
HB1
|
A:ALA167
|
3.0
|
22.3
|
1.0
|
|
CB
|
A:ALA167
|
3.2
|
18.6
|
1.0
|
|
HB3
|
A:SER163
|
3.3
|
22.6
|
1.0
|
|
O
|
A:HOH1028
|
3.3
|
27.9
|
1.0
|
|
HE3
|
A:TRP182
|
3.4
|
20.6
|
1.0
|
|
HA
|
A:TRP182
|
3.5
|
21.4
|
1.0
|
|
C22
|
A:N5W902
|
3.6
|
38.2
|
1.0
|
|
HB3
|
A:ALA167
|
3.7
|
22.3
|
1.0
|
|
OD2
|
A:ASP185
|
3.8
|
19.4
|
1.0
|
|
HB3
|
A:ASN181
|
3.9
|
21.0
|
1.0
|
|
H221
|
A:N5W902
|
4.0
|
45.9
|
1.0
|
|
HB2
|
A:TRP182
|
4.0
|
20.7
|
1.0
|
|
O
|
A:HOH1149
|
4.0
|
21.2
|
1.0
|
|
C07
|
A:N5W902
|
4.1
|
25.8
|
1.0
|
|
HB2
|
A:SER163
|
4.1
|
22.6
|
1.0
|
|
CB
|
A:SER163
|
4.1
|
18.8
|
1.0
|
|
HB2
|
A:ASN181
|
4.2
|
21.0
|
1.0
|
|
CA
|
A:TRP182
|
4.2
|
17.8
|
1.0
|
|
N
|
A:TRP182
|
4.3
|
18.0
|
1.0
|
|
CE3
|
A:TRP182
|
4.3
|
17.1
|
1.0
|
|
HD23
|
A:LEU164
|
4.3
|
26.3
|
1.0
|
|
HA
|
A:ALA167
|
4.3
|
19.4
|
1.0
|
|
CA
|
A:ALA167
|
4.4
|
16.1
|
1.0
|
|
HG
|
A:SER163
|
4.4
|
22.8
|
1.0
|
|
H
|
A:TRP182
|
4.5
|
21.6
|
1.0
|
|
HG13
|
A:VAL228
|
4.5
|
22.0
|
1.0
|
|
CB
|
A:ASN181
|
4.5
|
17.4
|
1.0
|
|
C
|
A:ASN181
|
4.5
|
18.5
|
1.0
|
|
HG11
|
A:VAL228
|
4.5
|
22.0
|
1.0
|
|
HB2
|
A:ASP185
|
4.6
|
22.6
|
1.0
|
|
H071
|
A:N5W902
|
4.6
|
31.0
|
1.0
|
|
CB
|
A:TRP182
|
4.6
|
17.2
|
1.0
|
|
O
|
A:HOH1262
|
4.6
|
24.9
|
1.0
|
|
O
|
A:ASN181
|
4.7
|
18.0
|
1.0
|
|
HG12
|
A:VAL228
|
4.7
|
22.0
|
1.0
|
|
C21
|
A:N5W902
|
4.8
|
30.8
|
1.0
|
|
O
|
A:HOH1129
|
4.8
|
22.7
|
1.0
|
|
OG
|
A:SER163
|
4.8
|
19.0
|
1.0
|
|
CG1
|
A:VAL228
|
4.8
|
18.3
|
1.0
|
|
O
|
A:SER163
|
4.8
|
18.9
|
1.0
|
|
O
|
A:ALA178
|
4.9
|
15.4
|
1.0
|
|
HZ3
|
A:TRP182
|
4.9
|
23.7
|
1.0
|
|
CG
|
A:ASP185
|
4.9
|
19.7
|
1.0
|
|
H
|
A:ALA167
|
4.9
|
19.8
|
1.0
|
|
C08
|
A:N5W902
|
4.9
|
28.7
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 6tev
Go back to
Fluorine Binding Sites List in 6tev
Fluorine binding site 5 out
of 6 in the The Structure of CYP121 in Complex with Inhibitor L44
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of The Structure of CYP121 in Complex with Inhibitor L44 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F902
b:66.6
occ:1.00
|
F03
|
A:N5W902
|
0.0
|
66.6
|
1.0
|
|
C02
|
A:N5W902
|
1.4
|
63.9
|
1.0
|
|
F01
|
A:N5W902
|
2.2
|
69.1
|
1.0
|
|
F04
|
A:N5W902
|
2.2
|
69.4
|
1.0
|
|
C05
|
A:N5W902
|
2.3
|
45.6
|
1.0
|
|
O
|
A:HOH1262
|
2.5
|
24.9
|
1.0
|
|
H221
|
A:N5W902
|
2.6
|
45.9
|
1.0
|
|
C22
|
A:N5W902
|
2.8
|
38.2
|
1.0
|
|
O
|
A:HOH1129
|
2.9
|
22.7
|
1.0
|
|
HD23
|
A:LEU164
|
3.1
|
26.3
|
1.0
|
|
OD2
|
A:ASP185
|
3.3
|
19.4
|
1.0
|
|
HB2
|
A:SER163
|
3.3
|
22.6
|
1.0
|
|
HD21
|
A:LEU164
|
3.3
|
26.3
|
1.0
|
|
HB3
|
A:SER163
|
3.4
|
22.6
|
1.0
|
|
HG13
|
A:VAL228
|
3.5
|
22.0
|
1.0
|
|
C06
|
A:N5W902
|
3.5
|
33.5
|
1.0
|
|
CD2
|
A:LEU164
|
3.6
|
21.9
|
1.0
|
|
HB2
|
A:ALA167
|
3.7
|
22.3
|
1.0
|
|
H061
|
A:N5W902
|
3.8
|
40.2
|
1.0
|
|
CB
|
A:SER163
|
3.8
|
18.8
|
1.0
|
|
HD22
|
A:LEU164
|
3.9
|
26.3
|
1.0
|
|
HB1
|
A:ALA167
|
4.0
|
22.3
|
1.0
|
|
HG12
|
A:VAL228
|
4.0
|
22.0
|
1.0
|
|
HG
|
A:SER163
|
4.1
|
22.8
|
1.0
|
|
HB3
|
A:ALA167
|
4.1
|
22.3
|
1.0
|
|
CB
|
A:ALA167
|
4.1
|
18.6
|
1.0
|
|
CG1
|
A:VAL228
|
4.1
|
18.3
|
1.0
|
|
C21
|
A:N5W902
|
4.2
|
30.8
|
1.0
|
|
HG11
|
A:VAL228
|
4.3
|
22.0
|
1.0
|
|
HA3
|
A:GLY232
|
4.3
|
15.6
|
1.0
|
|
CG
|
A:ASP185
|
4.3
|
19.7
|
1.0
|
|
HB2
|
A:ASP185
|
4.4
|
22.6
|
1.0
|
|
OG
|
A:SER163
|
4.5
|
19.0
|
1.0
|
|
O
|
A:HOH1063
|
4.5
|
22.3
|
1.0
|
|
HB3
|
A:ASP185
|
4.6
|
22.6
|
1.0
|
|
HE3
|
A:TRP182
|
4.6
|
20.6
|
1.0
|
|
C07
|
A:N5W902
|
4.6
|
25.8
|
1.0
|
|
CB
|
A:ASP185
|
4.7
|
18.8
|
1.0
|
|
H211
|
A:N5W902
|
4.7
|
36.9
|
1.0
|
|
HA
|
A:LEU164
|
4.7
|
22.1
|
1.0
|
|
O
|
A:VAL228
|
4.8
|
15.5
|
1.0
|
|
HE1
|
A:PHE168
|
4.8
|
18.9
|
1.0
|
|
HA2
|
A:GLY232
|
4.8
|
15.6
|
1.0
|
|
HA
|
A:TRP182
|
4.9
|
21.4
|
1.0
|
|
O
|
A:LEU160
|
4.9
|
17.3
|
1.0
|
|
HB3
|
A:ASN181
|
4.9
|
21.0
|
1.0
|
|
CG
|
A:LEU164
|
4.9
|
19.0
|
1.0
|
|
C08
|
A:N5W902
|
4.9
|
28.7
|
1.0
|
|
HD1
|
A:PHE231
|
4.9
|
24.2
|
1.0
|
|
HG
|
A:LEU164
|
4.9
|
22.9
|
1.0
|
|
C
|
A:SER163
|
5.0
|
19.5
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 6tev
Go back to
Fluorine Binding Sites List in 6tev
Fluorine binding site 6 out
of 6 in the The Structure of CYP121 in Complex with Inhibitor L44
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of The Structure of CYP121 in Complex with Inhibitor L44 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F902
b:69.4
occ:1.00
|
F04
|
A:N5W902
|
0.0
|
69.4
|
1.0
|
|
C02
|
A:N5W902
|
1.4
|
63.9
|
1.0
|
|
F01
|
A:N5W902
|
2.2
|
69.1
|
1.0
|
|
F03
|
A:N5W902
|
2.2
|
66.6
|
1.0
|
|
HG13
|
A:VAL228
|
2.4
|
22.0
|
1.0
|
|
C05
|
A:N5W902
|
2.4
|
45.6
|
1.0
|
|
HG11
|
A:VAL228
|
2.4
|
22.0
|
1.0
|
|
CG1
|
A:VAL228
|
2.7
|
18.3
|
1.0
|
|
HE3
|
A:TRP182
|
2.8
|
20.6
|
1.0
|
|
HG12
|
A:VAL228
|
2.8
|
22.0
|
1.0
|
|
HA
|
A:TRP182
|
3.0
|
21.4
|
1.0
|
|
HB2
|
A:ASP185
|
3.1
|
22.6
|
1.0
|
|
H221
|
A:N5W902
|
3.2
|
45.9
|
1.0
|
|
C22
|
A:N5W902
|
3.2
|
38.2
|
1.0
|
|
C06
|
A:N5W902
|
3.3
|
33.5
|
1.0
|
|
OD2
|
A:ASP185
|
3.4
|
19.4
|
1.0
|
|
H061
|
A:N5W902
|
3.4
|
40.2
|
1.0
|
|
CE3
|
A:TRP182
|
3.4
|
17.1
|
1.0
|
|
CB
|
A:ASP185
|
3.7
|
18.8
|
1.0
|
|
HB3
|
A:ASP185
|
3.8
|
22.6
|
1.0
|
|
O
|
A:HOH1262
|
3.8
|
24.9
|
1.0
|
|
HZ3
|
A:TRP182
|
3.8
|
23.7
|
1.0
|
|
CZ3
|
A:TRP182
|
4.0
|
19.8
|
1.0
|
|
CA
|
A:TRP182
|
4.0
|
17.8
|
1.0
|
|
CG
|
A:ASP185
|
4.0
|
19.7
|
1.0
|
|
CB
|
A:VAL228
|
4.2
|
17.1
|
1.0
|
|
O
|
A:HOH1063
|
4.2
|
22.3
|
1.0
|
|
O
|
A:HOH1129
|
4.3
|
22.7
|
1.0
|
|
CD2
|
A:TRP182
|
4.3
|
16.8
|
1.0
|
|
HB2
|
A:TRP182
|
4.3
|
20.7
|
1.0
|
|
HG21
|
A:VAL228
|
4.5
|
20.8
|
1.0
|
|
HG22
|
A:VAL228
|
4.5
|
20.8
|
1.0
|
|
O
|
A:ASN181
|
4.5
|
18.0
|
1.0
|
|
C21
|
A:N5W902
|
4.5
|
30.8
|
1.0
|
|
C07
|
A:N5W902
|
4.6
|
25.8
|
1.0
|
|
CB
|
A:TRP182
|
4.6
|
17.2
|
1.0
|
|
N
|
A:TRP182
|
4.6
|
18.0
|
1.0
|
|
CG2
|
A:VAL228
|
4.6
|
17.3
|
1.0
|
|
HB
|
A:VAL228
|
4.6
|
20.5
|
1.0
|
|
HB3
|
A:SER163
|
4.7
|
22.6
|
1.0
|
|
HB2
|
A:ALA167
|
4.7
|
22.3
|
1.0
|
|
O
|
A:TRP182
|
4.7
|
15.6
|
1.0
|
|
HB1
|
A:ALA167
|
4.8
|
22.3
|
1.0
|
|
C
|
A:ASN181
|
4.8
|
18.5
|
1.0
|
|
O
|
A:HOH1028
|
4.8
|
27.9
|
1.0
|
|
HG
|
A:SER163
|
4.8
|
22.8
|
1.0
|
|
CG
|
A:TRP182
|
4.8
|
17.2
|
1.0
|
|
O
|
A:VAL228
|
4.9
|
15.5
|
1.0
|
|
C
|
A:TRP182
|
4.9
|
17.4
|
1.0
|
|
HA
|
A:VAL228
|
4.9
|
18.6
|
1.0
|
|
HB2
|
A:SER163
|
4.9
|
22.6
|
1.0
|
|
CA
|
A:VAL228
|
5.0
|
15.5
|
1.0
|
|
Reference:
S.Adam,
J.Koehnke.
The Structure of CYP121 in Complex with Inhibitor L44 To Be Published.
Page generated: Fri Aug 2 02:03:43 2024
|
