Fluorine in PDB 5ikv: The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
Enzymatic activity of The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
All present enzymatic activity of The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2:
1.14.99.1;
Protein crystallography data
The structure of The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2, PDB code: 5ikv
was solved by
B.J.Orlando,
M.G.Malkowski,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.01 /
2.51
|
Space group
|
I 2 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
126.918,
149.334,
184.766,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.5 /
22.4
|
Other elements in 5ikv:
The structure of The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
(pdb code 5ikv). 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 Flufenamic Acid Bound to Human Cyclooxygenase-2, PDB code: 5ikv:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 5ikv
Go back to
Fluorine Binding Sites List in 5ikv
Fluorine binding site 1 out
of 6 in the The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
![](/pictures/F/pdb/ik/5ikv-F-sphere_01.jpg) Mono view
![](/pictures/F/pdb/ik/5ikv-F-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F601
b:51.1
occ:1.00
|
F1
|
A:FLF601
|
0.0
|
51.1
|
1.0
|
C7'
|
A:FLF601
|
1.3
|
48.2
|
1.0
|
F3
|
A:FLF601
|
2.2
|
48.2
|
1.0
|
F2
|
A:FLF601
|
2.2
|
47.8
|
1.0
|
C3'
|
A:FLF601
|
2.3
|
47.7
|
1.0
|
H4'
|
A:FLF601
|
2.5
|
58.3
|
1.0
|
HE2
|
A:TYR355
|
2.7
|
48.9
|
1.0
|
C4'
|
A:FLF601
|
2.8
|
48.5
|
1.0
|
HD21
|
A:LEU359
|
3.1
|
44.6
|
1.0
|
HD11
|
A:LEU359
|
3.2
|
43.7
|
1.0
|
HG11
|
A:VAL116
|
3.3
|
47.2
|
1.0
|
CE2
|
A:TYR355
|
3.4
|
41.2
|
1.0
|
C2'
|
A:FLF601
|
3.5
|
47.0
|
1.0
|
HD22
|
A:LEU359
|
3.6
|
44.6
|
1.0
|
HD2
|
A:TYR355
|
3.7
|
49.2
|
1.0
|
HD13
|
A:LEU359
|
3.7
|
43.7
|
1.0
|
CD2
|
A:LEU359
|
3.7
|
37.6
|
1.0
|
H2'
|
A:FLF601
|
3.8
|
56.4
|
1.0
|
HG13
|
A:VAL116
|
3.8
|
47.2
|
1.0
|
CD1
|
A:LEU359
|
3.9
|
36.6
|
1.0
|
CD2
|
A:TYR355
|
4.0
|
41.5
|
1.0
|
CG1
|
A:VAL116
|
4.0
|
37.7
|
1.0
|
HH
|
A:TYR355
|
4.0
|
49.9
|
1.0
|
C5'
|
A:FLF601
|
4.1
|
50.5
|
1.0
|
HB3
|
A:SER353
|
4.3
|
47.6
|
1.0
|
HG12
|
A:VAL349
|
4.3
|
41.5
|
1.0
|
HD11
|
A:LEU531
|
4.3
|
39.7
|
1.0
|
HH21
|
A:ARG120
|
4.4
|
0.5
|
1.0
|
CZ
|
A:TYR355
|
4.4
|
42.2
|
1.0
|
HG12
|
A:VAL116
|
4.4
|
47.2
|
1.0
|
HG11
|
A:VAL349
|
4.4
|
41.5
|
1.0
|
CG
|
A:LEU359
|
4.4
|
37.3
|
1.0
|
HB2
|
A:SER353
|
4.5
|
47.6
|
1.0
|
HD23
|
A:LEU359
|
4.5
|
44.6
|
1.0
|
OH
|
A:TYR355
|
4.6
|
42.0
|
1.0
|
HG21
|
A:VAL116
|
4.6
|
49.1
|
1.0
|
HD12
|
A:LEU359
|
4.7
|
43.7
|
1.0
|
C1'
|
A:FLF601
|
4.7
|
47.7
|
1.0
|
H5'
|
A:FLF601
|
4.7
|
60.6
|
1.0
|
CG1
|
A:VAL349
|
4.8
|
34.6
|
1.0
|
CB
|
A:SER353
|
4.8
|
41.2
|
1.0
|
HE
|
A:ARG120
|
4.8
|
87.3
|
1.0
|
HE1
|
A:MET113
|
4.9
|
45.5
|
1.0
|
O
|
A:HOH719
|
4.9
|
43.1
|
1.0
|
HG
|
A:LEU359
|
4.9
|
44.4
|
1.0
|
NH2
|
A:ARG120
|
4.9
|
52.6
|
1.0
|
C6'
|
A:FLF601
|
4.9
|
48.9
|
1.0
|
HD21
|
A:LEU531
|
4.9
|
38.3
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 5ikv
Go back to
Fluorine Binding Sites List in 5ikv
Fluorine binding site 2 out
of 6 in the The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
![](/pictures/F/pdb/ik/5ikv-F-sphere_02.jpg) Mono view
![](/pictures/F/pdb/ik/5ikv-F-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F601
b:47.8
occ:1.00
|
F2
|
A:FLF601
|
0.0
|
47.8
|
1.0
|
C7'
|
A:FLF601
|
1.3
|
48.2
|
1.0
|
F3
|
A:FLF601
|
2.2
|
48.2
|
1.0
|
F1
|
A:FLF601
|
2.2
|
51.1
|
1.0
|
C3'
|
A:FLF601
|
2.3
|
47.7
|
1.0
|
HD11
|
A:LEU531
|
2.6
|
39.7
|
1.0
|
HG13
|
A:VAL116
|
3.0
|
47.2
|
1.0
|
C2'
|
A:FLF601
|
3.2
|
47.0
|
1.0
|
C4'
|
A:FLF601
|
3.2
|
48.5
|
1.0
|
HG11
|
A:VAL116
|
3.2
|
47.2
|
1.0
|
H2'
|
A:FLF601
|
3.2
|
56.4
|
1.0
|
HB1
|
A:ALA527
|
3.2
|
42.5
|
1.0
|
H4'
|
A:FLF601
|
3.3
|
58.3
|
1.0
|
HE
|
A:ARG120
|
3.3
|
87.3
|
1.0
|
CG1
|
A:VAL116
|
3.4
|
37.7
|
1.0
|
HG12
|
A:VAL116
|
3.5
|
47.2
|
1.0
|
HG3
|
A:ARG120
|
3.5
|
57.0
|
1.0
|
CD1
|
A:LEU531
|
3.6
|
33.2
|
1.0
|
NE
|
A:ARG120
|
3.6
|
49.1
|
1.0
|
HH21
|
A:ARG120
|
3.7
|
0.5
|
1.0
|
HD12
|
A:LEU531
|
3.8
|
39.7
|
1.0
|
HD13
|
A:LEU531
|
4.0
|
39.7
|
1.0
|
NH2
|
A:ARG120
|
4.0
|
52.6
|
1.0
|
CZ
|
A:ARG120
|
4.0
|
52.0
|
1.0
|
CB
|
A:ALA527
|
4.1
|
35.5
|
1.0
|
HE2
|
A:TYR355
|
4.2
|
48.9
|
1.0
|
HB2
|
A:ALA527
|
4.2
|
42.5
|
1.0
|
HD21
|
A:LEU531
|
4.2
|
38.3
|
1.0
|
HD2
|
A:ARG120
|
4.3
|
72.5
|
1.0
|
CD
|
A:ARG120
|
4.4
|
46.5
|
1.0
|
CG
|
A:ARG120
|
4.4
|
42.9
|
1.0
|
C1'
|
A:FLF601
|
4.4
|
47.7
|
1.0
|
HB3
|
A:ALA527
|
4.4
|
42.5
|
1.0
|
C5'
|
A:FLF601
|
4.4
|
50.5
|
1.0
|
O
|
A:HOH719
|
4.5
|
43.1
|
1.0
|
HG
|
A:LEU531
|
4.5
|
38.5
|
1.0
|
CG
|
A:LEU531
|
4.6
|
32.0
|
1.0
|
HH
|
A:TYR355
|
4.6
|
49.9
|
1.0
|
HH22
|
A:ARG120
|
4.6
|
0.5
|
1.0
|
CD2
|
A:LEU531
|
4.8
|
31.9
|
1.0
|
HG11
|
A:VAL349
|
4.9
|
41.5
|
1.0
|
CB
|
A:VAL116
|
4.9
|
38.1
|
1.0
|
C6'
|
A:FLF601
|
4.9
|
48.9
|
1.0
|
HG2
|
A:ARG120
|
4.9
|
57.0
|
1.0
|
NH1
|
A:ARG120
|
5.0
|
53.6
|
1.0
|
HD21
|
A:LEU359
|
5.0
|
44.6
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 5ikv
Go back to
Fluorine Binding Sites List in 5ikv
Fluorine binding site 3 out
of 6 in the The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
![](/pictures/F/pdb/ik/5ikv-F-sphere_03.jpg) Mono view
![](/pictures/F/pdb/ik/5ikv-F-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F601
b:48.2
occ:1.00
|
F3
|
A:FLF601
|
0.0
|
48.2
|
1.0
|
C7'
|
A:FLF601
|
1.3
|
48.2
|
1.0
|
F1
|
A:FLF601
|
2.2
|
51.1
|
1.0
|
F2
|
A:FLF601
|
2.2
|
47.8
|
1.0
|
C3'
|
A:FLF601
|
2.3
|
47.7
|
1.0
|
H2'
|
A:FLF601
|
2.4
|
56.4
|
1.0
|
C2'
|
A:FLF601
|
2.7
|
47.0
|
1.0
|
HD21
|
A:LEU531
|
2.9
|
38.3
|
1.0
|
HD11
|
A:LEU531
|
2.9
|
39.7
|
1.0
|
HG11
|
A:VAL349
|
3.0
|
41.5
|
1.0
|
HD13
|
A:LEU359
|
3.4
|
43.7
|
1.0
|
C4'
|
A:FLF601
|
3.6
|
48.5
|
1.0
|
HG12
|
A:VAL349
|
3.6
|
41.5
|
1.0
|
HG11
|
A:VAL116
|
3.6
|
47.2
|
1.0
|
CG1
|
A:VAL349
|
3.7
|
34.6
|
1.0
|
HD11
|
A:LEU359
|
3.7
|
43.7
|
1.0
|
CD2
|
A:LEU531
|
3.8
|
31.9
|
1.0
|
CD1
|
A:LEU531
|
3.8
|
33.2
|
1.0
|
H4'
|
A:FLF601
|
3.9
|
58.3
|
1.0
|
HD22
|
A:LEU359
|
3.9
|
44.6
|
1.0
|
CD1
|
A:LEU359
|
4.0
|
36.6
|
1.0
|
HG
|
A:LEU531
|
4.0
|
38.5
|
1.0
|
HG13
|
A:VAL349
|
4.0
|
41.5
|
1.0
|
C1'
|
A:FLF601
|
4.1
|
47.7
|
1.0
|
CG
|
A:LEU531
|
4.1
|
32.0
|
1.0
|
HG12
|
A:VAL116
|
4.2
|
47.2
|
1.0
|
HE1
|
A:MET113
|
4.2
|
45.5
|
1.0
|
CG1
|
A:VAL116
|
4.2
|
37.7
|
1.0
|
HD21
|
A:LEU359
|
4.2
|
44.6
|
1.0
|
HD22
|
A:LEU531
|
4.2
|
38.3
|
1.0
|
HD13
|
A:LEU531
|
4.2
|
39.7
|
1.0
|
HB1
|
A:ALA527
|
4.3
|
42.5
|
1.0
|
HG13
|
A:VAL116
|
4.3
|
47.2
|
1.0
|
HD23
|
A:LEU531
|
4.4
|
38.3
|
1.0
|
HD12
|
A:LEU531
|
4.4
|
39.7
|
1.0
|
CD2
|
A:LEU359
|
4.5
|
37.6
|
1.0
|
HN1
|
A:FLF601
|
4.7
|
57.4
|
1.0
|
C5'
|
A:FLF601
|
4.7
|
50.5
|
1.0
|
HD12
|
A:LEU359
|
4.7
|
43.7
|
1.0
|
HE2
|
A:TYR355
|
4.8
|
48.9
|
1.0
|
N
|
A:FLF601
|
4.9
|
47.8
|
1.0
|
CG
|
A:LEU359
|
4.9
|
37.3
|
1.0
|
C6'
|
A:FLF601
|
4.9
|
48.9
|
1.0
|
CB
|
A:VAL349
|
5.0
|
33.9
|
1.0
|
HB
|
A:VAL349
|
5.0
|
40.8
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 5ikv
Go back to
Fluorine Binding Sites List in 5ikv
Fluorine binding site 4 out
of 6 in the The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
![](/pictures/F/pdb/ik/5ikv-F-sphere_04.jpg) Mono view
![](/pictures/F/pdb/ik/5ikv-F-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F601
b:40.4
occ:1.00
|
F1
|
B:FLF601
|
0.0
|
40.4
|
1.0
|
C7'
|
B:FLF601
|
1.3
|
36.4
|
1.0
|
F2
|
B:FLF601
|
2.0
|
41.2
|
1.0
|
F3
|
B:FLF601
|
2.1
|
34.9
|
1.0
|
C3'
|
B:FLF601
|
2.3
|
34.2
|
1.0
|
H4'
|
B:FLF601
|
2.4
|
38.6
|
1.0
|
C4'
|
B:FLF601
|
2.7
|
32.1
|
1.0
|
HE2
|
B:TYR355
|
2.7
|
40.2
|
1.0
|
HD21
|
B:LEU359
|
3.3
|
39.2
|
1.0
|
HG11
|
B:VAL116
|
3.4
|
40.0
|
1.0
|
CE2
|
B:TYR355
|
3.5
|
33.7
|
1.0
|
C2'
|
B:FLF601
|
3.5
|
31.9
|
1.0
|
HD11
|
B:LEU359
|
3.7
|
38.6
|
1.0
|
H2'
|
B:FLF601
|
3.8
|
38.3
|
1.0
|
HD22
|
B:LEU359
|
3.8
|
39.2
|
1.0
|
HG13
|
B:VAL116
|
3.9
|
40.0
|
1.0
|
HD2
|
B:TYR355
|
4.0
|
40.9
|
1.0
|
C5'
|
B:FLF601
|
4.0
|
31.3
|
1.0
|
CD2
|
B:LEU359
|
4.0
|
32.9
|
1.0
|
O
|
B:HOH728
|
4.0
|
42.3
|
1.0
|
HH21
|
B:ARG120
|
4.1
|
66.7
|
1.0
|
CG1
|
B:VAL116
|
4.1
|
33.5
|
1.0
|
CD2
|
B:TYR355
|
4.1
|
34.3
|
1.0
|
HB3
|
B:SER353
|
4.2
|
39.8
|
1.0
|
HD13
|
B:LEU359
|
4.2
|
38.6
|
1.0
|
HG12
|
B:VAL349
|
4.2
|
36.5
|
1.0
|
HB2
|
B:SER353
|
4.3
|
39.8
|
1.0
|
HD11
|
B:LEU531
|
4.3
|
35.0
|
1.0
|
HG11
|
B:VAL349
|
4.3
|
36.5
|
1.0
|
CZ
|
B:TYR355
|
4.4
|
34.0
|
1.0
|
CD1
|
B:LEU359
|
4.4
|
32.3
|
1.0
|
OH
|
B:TYR355
|
4.4
|
33.5
|
1.0
|
HG12
|
B:VAL116
|
4.5
|
40.0
|
1.0
|
HE
|
B:ARG120
|
4.5
|
62.2
|
1.0
|
H5'
|
B:FLF601
|
4.6
|
37.6
|
1.0
|
C1'
|
B:FLF601
|
4.6
|
30.3
|
1.0
|
CG1
|
B:VAL349
|
4.6
|
30.5
|
1.0
|
NH2
|
B:ARG120
|
4.7
|
46.7
|
1.0
|
CB
|
B:SER353
|
4.7
|
33.3
|
1.0
|
HD23
|
B:LEU359
|
4.7
|
39.2
|
1.0
|
HG13
|
B:VAL349
|
4.8
|
36.5
|
1.0
|
C6'
|
B:FLF601
|
4.8
|
31.2
|
1.0
|
CG
|
B:LEU359
|
4.8
|
33.1
|
1.0
|
HD21
|
B:LEU531
|
4.9
|
34.9
|
1.0
|
HB1
|
B:ALA527
|
4.9
|
35.6
|
1.0
|
HG21
|
B:VAL116
|
4.9
|
41.9
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 5ikv
Go back to
Fluorine Binding Sites List in 5ikv
Fluorine binding site 5 out
of 6 in the The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
![](/pictures/F/pdb/ik/5ikv-F-sphere_05.jpg) Mono view
![](/pictures/F/pdb/ik/5ikv-F-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F601
b:41.2
occ:1.00
|
F2
|
B:FLF601
|
0.0
|
41.2
|
1.0
|
C7'
|
B:FLF601
|
1.3
|
36.4
|
1.0
|
F1
|
B:FLF601
|
2.0
|
40.4
|
1.0
|
F3
|
B:FLF601
|
2.1
|
34.9
|
1.0
|
C3'
|
B:FLF601
|
2.3
|
34.2
|
1.0
|
HD11
|
B:LEU531
|
2.7
|
35.0
|
1.0
|
C2'
|
B:FLF601
|
3.1
|
31.9
|
1.0
|
C4'
|
B:FLF601
|
3.1
|
32.1
|
1.0
|
HE
|
B:ARG120
|
3.1
|
62.2
|
1.0
|
H2'
|
B:FLF601
|
3.2
|
38.3
|
1.0
|
H4'
|
B:FLF601
|
3.2
|
38.6
|
1.0
|
HB1
|
B:ALA527
|
3.2
|
35.6
|
1.0
|
HG13
|
B:VAL116
|
3.3
|
40.0
|
1.0
|
HG11
|
B:VAL116
|
3.5
|
40.0
|
1.0
|
HH21
|
B:ARG120
|
3.6
|
66.7
|
1.0
|
NE
|
B:ARG120
|
3.6
|
44.4
|
1.0
|
CD1
|
B:LEU531
|
3.6
|
29.0
|
1.0
|
HG3
|
B:ARG120
|
3.6
|
46.3
|
1.0
|
CG1
|
B:VAL116
|
3.7
|
33.5
|
1.0
|
HG12
|
B:VAL116
|
3.7
|
40.0
|
1.0
|
HD12
|
B:LEU531
|
3.8
|
35.0
|
1.0
|
O
|
B:HOH728
|
4.0
|
42.3
|
1.0
|
NH2
|
B:ARG120
|
4.0
|
46.7
|
1.0
|
CB
|
B:ALA527
|
4.0
|
29.6
|
1.0
|
HD21
|
B:LEU531
|
4.0
|
34.9
|
1.0
|
CZ
|
B:ARG120
|
4.1
|
46.3
|
1.0
|
HD13
|
B:LEU531
|
4.1
|
35.0
|
1.0
|
HB2
|
B:ALA527
|
4.1
|
35.6
|
1.0
|
HE2
|
B:TYR355
|
4.2
|
40.2
|
1.0
|
C5'
|
B:FLF601
|
4.3
|
31.3
|
1.0
|
C1'
|
B:FLF601
|
4.3
|
30.3
|
1.0
|
HG
|
B:LEU531
|
4.3
|
34.5
|
1.0
|
HD2
|
B:ARG120
|
4.3
|
53.2
|
1.0
|
CD
|
B:ARG120
|
4.4
|
42.6
|
1.0
|
CG
|
B:ARG120
|
4.4
|
40.2
|
1.0
|
HB3
|
B:ALA527
|
4.5
|
35.6
|
1.0
|
CG
|
B:LEU531
|
4.5
|
28.3
|
1.0
|
HH22
|
B:ARG120
|
4.6
|
66.7
|
1.0
|
HG11
|
B:VAL349
|
4.7
|
36.5
|
1.0
|
CD2
|
B:LEU531
|
4.7
|
28.6
|
1.0
|
C6'
|
B:FLF601
|
4.8
|
31.2
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 5ikv
Go back to
Fluorine Binding Sites List in 5ikv
Fluorine binding site 6 out
of 6 in the The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
![](/pictures/F/pdb/ik/5ikv-F-sphere_06.jpg) Mono view
![](/pictures/F/pdb/ik/5ikv-F-sphere_06_stereo.jpg) Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F601
b:34.9
occ:1.00
|
F3
|
B:FLF601
|
0.0
|
34.9
|
1.0
|
C7'
|
B:FLF601
|
1.3
|
36.4
|
1.0
|
F2
|
B:FLF601
|
2.1
|
41.2
|
1.0
|
F1
|
B:FLF601
|
2.1
|
40.4
|
1.0
|
C3'
|
B:FLF601
|
2.4
|
34.2
|
1.0
|
H2'
|
B:FLF601
|
2.6
|
38.3
|
1.0
|
HD21
|
B:LEU531
|
2.8
|
34.9
|
1.0
|
C2'
|
B:FLF601
|
2.9
|
31.9
|
1.0
|
HD11
|
B:LEU531
|
2.9
|
35.0
|
1.0
|
HG11
|
B:VAL349
|
3.0
|
36.5
|
1.0
|
C4'
|
B:FLF601
|
3.5
|
32.1
|
1.0
|
HG12
|
B:VAL349
|
3.6
|
36.5
|
1.0
|
HG11
|
B:VAL116
|
3.6
|
40.0
|
1.0
|
HD13
|
B:LEU359
|
3.6
|
38.6
|
1.0
|
CG1
|
B:VAL349
|
3.6
|
30.5
|
1.0
|
CD2
|
B:LEU531
|
3.8
|
28.6
|
1.0
|
HD22
|
B:LEU359
|
3.8
|
39.2
|
1.0
|
H4'
|
B:FLF601
|
3.8
|
38.6
|
1.0
|
CD1
|
B:LEU531
|
3.8
|
29.0
|
1.0
|
HD11
|
B:LEU359
|
3.9
|
38.6
|
1.0
|
HG13
|
B:VAL349
|
3.9
|
36.5
|
1.0
|
HD21
|
B:LEU359
|
4.1
|
39.2
|
1.0
|
HG12
|
B:VAL116
|
4.1
|
40.0
|
1.0
|
HG
|
B:LEU531
|
4.1
|
34.5
|
1.0
|
CG
|
B:LEU531
|
4.2
|
28.3
|
1.0
|
CG1
|
B:VAL116
|
4.2
|
33.5
|
1.0
|
HD22
|
B:LEU531
|
4.2
|
34.9
|
1.0
|
C1'
|
B:FLF601
|
4.2
|
30.3
|
1.0
|
CD1
|
B:LEU359
|
4.2
|
32.3
|
1.0
|
HG13
|
B:VAL116
|
4.2
|
40.0
|
1.0
|
HD13
|
B:LEU531
|
4.2
|
35.0
|
1.0
|
CD2
|
B:LEU359
|
4.3
|
32.9
|
1.0
|
HD23
|
B:LEU531
|
4.4
|
34.9
|
1.0
|
HB1
|
B:ALA527
|
4.4
|
35.6
|
1.0
|
HD12
|
B:LEU531
|
4.5
|
35.0
|
1.0
|
HE1
|
B:MET113
|
4.5
|
40.3
|
1.0
|
C5'
|
B:FLF601
|
4.7
|
31.3
|
1.0
|
HE2
|
B:TYR355
|
4.8
|
40.2
|
1.0
|
HN1
|
B:FLF601
|
4.8
|
39.0
|
1.0
|
CG
|
B:LEU359
|
4.9
|
33.1
|
1.0
|
C6'
|
B:FLF601
|
4.9
|
31.2
|
1.0
|
CB
|
B:VAL349
|
5.0
|
30.5
|
1.0
|
|
Reference:
B.J.Orlando,
M.G.Malkowski.
Substrate-Selective Inhibition of Cyclooxygeanse-2 By Fenamic Acid Derivatives Is Dependent on Peroxide Tone. J.Biol.Chem. V. 291 15069 2016.
ISSN: ESSN 1083-351X
PubMed: 27226593
DOI: 10.1074/JBC.M116.725713
Page generated: Thu Aug 1 10:16:19 2024
|