Fluorine in PDB 1s2c: Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
Enzymatic activity of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
All present enzymatic activity of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin:
1.1.1.213;
1.1.1.62;
1.3.1.20;
Protein crystallography data
The structure of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin, PDB code: 1s2c
was solved by
A.L.Lovering,
J.P.Ride,
C.M.Bunce,
J.C.Desmond,
S.M.Cummings,
S.A.White,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.00 /
1.80
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
55.798,
63.000,
96.289,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16.8 /
20.5
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
(pdb code 1s2c). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the
Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin, PDB code: 1s2c:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Fluorine binding site 1 out
of 9 in 1s2c
Go back to
Fluorine Binding Sites List in 1s2c
Fluorine binding site 1 out
of 9 in the Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2001
b:25.4
occ:1.00
|
F1
|
A:FLF2001
|
0.0
|
25.4
|
1.0
|
C7'
|
A:FLF2001
|
1.3
|
23.9
|
1.0
|
F2
|
A:FLF2001
|
2.1
|
25.7
|
1.0
|
F3
|
A:FLF2001
|
2.1
|
22.8
|
1.0
|
C3'
|
A:FLF2001
|
2.3
|
20.6
|
1.0
|
C2'
|
A:FLF2001
|
2.7
|
18.4
|
1.0
|
OH
|
A:TYR216
|
2.9
|
10.8
|
1.0
|
O
|
A:HOH2006
|
3.0
|
11.0
|
1.0
|
OD1
|
A:ASN167
|
3.4
|
11.4
|
1.0
|
C4'
|
A:FLF2001
|
3.6
|
20.5
|
1.0
|
CG
|
A:ASN167
|
3.8
|
11.3
|
1.0
|
CB
|
A:PHE306
|
4.1
|
13.3
|
1.0
|
C1'
|
A:FLF2001
|
4.1
|
18.0
|
1.0
|
ND2
|
A:ASN167
|
4.2
|
10.8
|
1.0
|
CZ
|
A:TYR216
|
4.3
|
9.4
|
1.0
|
OH
|
A:TYR319
|
4.4
|
13.0
|
1.0
|
CG
|
A:PHE306
|
4.4
|
14.5
|
1.0
|
CB
|
A:ASN167
|
4.7
|
10.7
|
1.0
|
CD2
|
A:PHE306
|
4.7
|
16.2
|
1.0
|
CE2
|
A:TYR319
|
4.7
|
14.8
|
1.0
|
C5'
|
A:FLF2001
|
4.7
|
19.9
|
1.0
|
O7N
|
A:NAP1001
|
4.9
|
10.0
|
1.0
|
O
|
A:HOH2014
|
4.9
|
10.8
|
1.0
|
CD1
|
A:PHE306
|
4.9
|
14.5
|
1.0
|
CZ
|
A:TYR319
|
4.9
|
14.3
|
1.0
|
C6'
|
A:FLF2001
|
5.0
|
18.2
|
1.0
|
|
Fluorine binding site 2 out
of 9 in 1s2c
Go back to
Fluorine Binding Sites List in 1s2c
Fluorine binding site 2 out
of 9 in the Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2001
b:25.7
occ:1.00
|
F2
|
A:FLF2001
|
0.0
|
25.7
|
1.0
|
C7'
|
A:FLF2001
|
1.3
|
23.9
|
1.0
|
F1
|
A:FLF2001
|
2.1
|
25.4
|
1.0
|
F3
|
A:FLF2001
|
2.2
|
22.8
|
1.0
|
C3'
|
A:FLF2001
|
2.3
|
20.6
|
1.0
|
C4'
|
A:FLF2001
|
2.9
|
20.5
|
1.0
|
CG
|
A:ASN167
|
3.1
|
11.3
|
1.0
|
OD1
|
A:ASN167
|
3.3
|
11.4
|
1.0
|
CE
|
A:MET120
|
3.4
|
20.4
|
1.0
|
CB
|
A:ASN167
|
3.4
|
10.7
|
1.0
|
C2'
|
A:FLF2001
|
3.4
|
18.4
|
1.0
|
ND2
|
A:ASN167
|
3.6
|
10.8
|
1.0
|
C5'
|
A:FLF2001
|
4.2
|
19.9
|
1.0
|
OH
|
A:TYR216
|
4.4
|
10.8
|
1.0
|
CG
|
A:PRO318
|
4.4
|
16.9
|
1.0
|
OG
|
A:SER118
|
4.5
|
14.8
|
1.0
|
C1'
|
A:FLF2001
|
4.6
|
18.0
|
1.0
|
CD
|
A:PRO318
|
4.7
|
17.6
|
1.0
|
CA
|
A:ASN167
|
4.7
|
10.6
|
1.0
|
O
|
A:HOH2006
|
4.8
|
11.0
|
1.0
|
CB
|
A:SER118
|
4.8
|
12.7
|
1.0
|
C6'
|
A:FLF2001
|
4.9
|
18.2
|
1.0
|
SD
|
A:MET120
|
5.0
|
21.4
|
1.0
|
|
Fluorine binding site 3 out
of 9 in 1s2c
Go back to
Fluorine Binding Sites List in 1s2c
Fluorine binding site 3 out
of 9 in the Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2001
b:22.8
occ:1.00
|
F3
|
A:FLF2001
|
0.0
|
22.8
|
1.0
|
C7'
|
A:FLF2001
|
1.3
|
23.9
|
1.0
|
F1
|
A:FLF2001
|
2.1
|
25.4
|
1.0
|
F2
|
A:FLF2001
|
2.2
|
25.7
|
1.0
|
C3'
|
A:FLF2001
|
2.3
|
20.6
|
1.0
|
C4'
|
A:FLF2001
|
2.9
|
20.5
|
1.0
|
C2'
|
A:FLF2001
|
3.4
|
18.4
|
1.0
|
CG
|
A:PHE311
|
3.5
|
24.5
|
1.0
|
CE
|
A:MET120
|
3.5
|
20.4
|
1.0
|
CD2
|
A:PHE311
|
3.5
|
25.7
|
1.0
|
CD1
|
A:PHE311
|
3.7
|
25.2
|
1.0
|
CE2
|
A:PHE311
|
3.8
|
25.2
|
1.0
|
CE1
|
A:PHE311
|
4.0
|
25.9
|
1.0
|
CZ
|
A:PHE311
|
4.0
|
25.9
|
1.0
|
CB
|
A:PHE311
|
4.1
|
23.3
|
1.0
|
C5'
|
A:FLF2001
|
4.2
|
19.9
|
1.0
|
O
|
A:HOH2006
|
4.6
|
11.0
|
1.0
|
C1'
|
A:FLF2001
|
4.6
|
18.0
|
1.0
|
CB
|
A:PHE306
|
4.7
|
13.3
|
1.0
|
SD
|
A:MET120
|
4.8
|
21.4
|
1.0
|
O
|
A:HOH2181
|
4.9
|
33.4
|
1.0
|
C6'
|
A:FLF2001
|
4.9
|
18.2
|
1.0
|
|
Fluorine binding site 4 out
of 9 in 1s2c
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Fluorine Binding Sites List in 1s2c
Fluorine binding site 4 out
of 9 in the Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2002
b:39.0
occ:0.50
|
F1
|
A:FLF2002
|
0.0
|
39.0
|
0.5
|
C7'
|
A:FLF2002
|
1.3
|
38.2
|
0.5
|
F2
|
A:FLF2002
|
2.2
|
39.3
|
0.5
|
F3
|
A:FLF2002
|
2.2
|
38.3
|
0.5
|
C3'
|
A:FLF2002
|
2.3
|
37.1
|
0.5
|
O
|
A:HOH2195
|
2.6
|
40.2
|
1.0
|
C2'
|
A:FLF2002
|
2.7
|
35.8
|
0.5
|
N
|
A:GLN6
|
3.0
|
21.0
|
1.0
|
C6'
|
A:FLF2002
|
3.1
|
35.5
|
0.5
|
C5'
|
A:FLF2002
|
3.3
|
36.5
|
0.5
|
CA
|
A:GLN6
|
3.5
|
20.4
|
1.0
|
C4'
|
A:FLF2002
|
3.6
|
36.7
|
0.5
|
C1'
|
A:FLF2002
|
4.1
|
35.1
|
0.5
|
CG
|
A:GLN6
|
4.1
|
24.3
|
1.0
|
C1'
|
A:FLF2002
|
4.3
|
35.3
|
0.5
|
CB
|
A:GLN6
|
4.4
|
21.3
|
1.0
|
C4'
|
A:FLF2002
|
4.5
|
37.2
|
0.5
|
O
|
A:HOH2065
|
4.6
|
29.0
|
1.0
|
C
|
A:GLN6
|
4.7
|
18.8
|
1.0
|
C5'
|
A:FLF2002
|
4.7
|
36.2
|
0.5
|
N
|
A:FLF2002
|
4.8
|
34.6
|
1.0
|
N
|
A:CYS7
|
4.9
|
22.5
|
1.0
|
C6'
|
A:FLF2002
|
4.9
|
35.4
|
0.5
|
|
Fluorine binding site 5 out
of 9 in 1s2c
Go back to
Fluorine Binding Sites List in 1s2c
Fluorine binding site 5 out
of 9 in the Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2002
b:40.7
occ:0.50
|
F1
|
A:FLF2002
|
0.0
|
40.7
|
0.5
|
C7'
|
A:FLF2002
|
1.3
|
39.5
|
0.5
|
F3
|
A:FLF2002
|
2.1
|
40.8
|
0.5
|
F2
|
A:FLF2002
|
2.2
|
40.7
|
0.5
|
O
|
A:HOH2201
|
2.3
|
24.3
|
1.0
|
C3'
|
A:FLF2002
|
2.3
|
37.9
|
0.5
|
C2'
|
A:FLF2002
|
2.6
|
36.2
|
0.5
|
O
|
A:LEU261
|
2.9
|
10.7
|
1.0
|
C6'
|
A:FLF2002
|
3.0
|
35.4
|
0.5
|
C5'
|
A:FLF2002
|
3.2
|
36.2
|
0.5
|
C
|
A:LEU261
|
3.3
|
10.7
|
1.0
|
CA
|
A:GLN262
|
3.3
|
12.2
|
1.0
|
N
|
A:GLN262
|
3.6
|
11.2
|
1.0
|
C4'
|
A:FLF2002
|
3.6
|
37.2
|
0.5
|
CG
|
A:GLN262
|
3.7
|
12.7
|
1.0
|
C1'
|
A:FLF2002
|
4.0
|
35.3
|
0.5
|
CB
|
A:GLN262
|
4.1
|
12.4
|
1.0
|
C1'
|
A:FLF2002
|
4.2
|
35.1
|
0.5
|
CB
|
A:LEU261
|
4.2
|
11.1
|
1.0
|
O
|
A:HOH2229
|
4.3
|
37.2
|
1.0
|
C
|
A:GLN262
|
4.3
|
12.5
|
1.0
|
NH2
|
A:ARG258
|
4.3
|
16.3
|
1.0
|
CA
|
A:LEU261
|
4.4
|
10.5
|
1.0
|
O
|
A:HOH2041
|
4.4
|
18.0
|
1.0
|
C4'
|
A:FLF2002
|
4.5
|
36.7
|
0.5
|
C5
|
A:FLF2002
|
4.6
|
32.6
|
1.0
|
O
|
A:GLN262
|
4.6
|
13.4
|
1.0
|
C5'
|
A:FLF2002
|
4.7
|
36.5
|
0.5
|
N
|
A:FLF2002
|
4.7
|
34.6
|
1.0
|
C6'
|
A:FLF2002
|
4.9
|
35.5
|
0.5
|
CZ
|
A:ARG258
|
4.9
|
15.5
|
1.0
|
C6
|
A:FLF2002
|
5.0
|
33.8
|
1.0
|
|
Fluorine binding site 6 out
of 9 in 1s2c
Go back to
Fluorine Binding Sites List in 1s2c
Fluorine binding site 6 out
of 9 in the Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2002
b:39.3
occ:0.50
|
F2
|
A:FLF2002
|
0.0
|
39.3
|
0.5
|
C7'
|
A:FLF2002
|
1.3
|
38.2
|
0.5
|
F1
|
A:FLF2002
|
2.2
|
39.0
|
0.5
|
F3
|
A:FLF2002
|
2.2
|
38.3
|
0.5
|
C3'
|
A:FLF2002
|
2.3
|
37.1
|
0.5
|
C5'
|
A:FLF2002
|
2.8
|
36.5
|
0.5
|
C4'
|
A:FLF2002
|
2.9
|
36.7
|
0.5
|
CG
|
A:GLN6
|
3.1
|
24.3
|
1.0
|
C6'
|
A:FLF2002
|
3.3
|
35.5
|
0.5
|
C2'
|
A:FLF2002
|
3.4
|
35.8
|
0.5
|
CD1
|
A:PHE284
|
3.6
|
17.7
|
1.0
|
CA
|
A:GLN6
|
3.8
|
20.4
|
1.0
|
CE1
|
A:PHE284
|
3.8
|
16.7
|
1.0
|
O
|
A:HOH2195
|
3.9
|
40.2
|
1.0
|
C4'
|
A:FLF2002
|
3.9
|
37.2
|
0.5
|
N
|
A:GLN6
|
4.0
|
21.0
|
1.0
|
CB
|
A:GLN6
|
4.0
|
21.3
|
1.0
|
CD
|
A:GLN6
|
4.2
|
28.1
|
1.0
|
OE1
|
A:GLN6
|
4.2
|
31.7
|
1.0
|
C5'
|
A:FLF2002
|
4.2
|
36.2
|
0.5
|
O
|
A:HOH2234
|
4.3
|
38.6
|
1.0
|
C1'
|
A:FLF2002
|
4.5
|
35.1
|
0.5
|
CG
|
A:PHE284
|
4.6
|
16.1
|
1.0
|
C1'
|
A:FLF2002
|
4.7
|
35.3
|
0.5
|
CZ
|
A:PHE284
|
4.9
|
16.1
|
1.0
|
C6'
|
A:FLF2002
|
4.9
|
35.4
|
0.5
|
|
Fluorine binding site 7 out
of 9 in 1s2c
Go back to
Fluorine Binding Sites List in 1s2c
Fluorine binding site 7 out
of 9 in the Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2002
b:40.7
occ:0.50
|
F2
|
A:FLF2002
|
0.0
|
40.7
|
0.5
|
C7'
|
A:FLF2002
|
1.3
|
39.5
|
0.5
|
F1
|
A:FLF2002
|
2.2
|
40.7
|
0.5
|
F3
|
A:FLF2002
|
2.2
|
40.8
|
0.5
|
C3'
|
A:FLF2002
|
2.3
|
37.9
|
0.5
|
O
|
A:HOH2201
|
2.7
|
24.3
|
1.0
|
O
|
A:HOH2229
|
3.0
|
37.2
|
1.0
|
C4'
|
A:FLF2002
|
3.0
|
37.2
|
0.5
|
C5'
|
A:FLF2002
|
3.1
|
36.2
|
0.5
|
NH2
|
A:ARG258
|
3.2
|
16.3
|
1.0
|
C2'
|
A:FLF2002
|
3.3
|
36.2
|
0.5
|
C6'
|
A:FLF2002
|
3.6
|
35.4
|
0.5
|
C4'
|
A:FLF2002
|
3.9
|
36.7
|
0.5
|
CZ
|
A:ARG258
|
4.2
|
15.5
|
1.0
|
CG
|
A:GLN262
|
4.3
|
12.7
|
1.0
|
C5'
|
A:FLF2002
|
4.3
|
36.5
|
0.5
|
C1'
|
A:FLF2002
|
4.5
|
35.3
|
0.5
|
C1'
|
A:FLF2002
|
4.6
|
35.1
|
0.5
|
NH1
|
A:ARG258
|
4.8
|
15.4
|
1.0
|
C3'
|
A:FLF2002
|
4.9
|
37.1
|
0.5
|
C6'
|
A:FLF2002
|
4.9
|
35.5
|
0.5
|
NE
|
A:ARG258
|
4.9
|
12.5
|
1.0
|
OE1
|
A:GLN287
|
4.9
|
28.1
|
1.0
|
CA
|
A:GLN262
|
5.0
|
12.2
|
1.0
|
|
Fluorine binding site 8 out
of 9 in 1s2c
Go back to
Fluorine Binding Sites List in 1s2c
Fluorine binding site 8 out
of 9 in the Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2002
b:38.3
occ:0.50
|
F3
|
A:FLF2002
|
0.0
|
38.3
|
0.5
|
C7'
|
A:FLF2002
|
1.3
|
38.2
|
0.5
|
F2
|
A:FLF2002
|
2.2
|
39.3
|
0.5
|
F1
|
A:FLF2002
|
2.2
|
39.0
|
0.5
|
C3'
|
A:FLF2002
|
2.3
|
37.1
|
0.5
|
C4'
|
A:FLF2002
|
2.9
|
36.7
|
0.5
|
C5'
|
A:FLF2002
|
2.9
|
36.5
|
0.5
|
C2'
|
A:FLF2002
|
3.4
|
35.8
|
0.5
|
C6'
|
A:FLF2002
|
3.6
|
35.5
|
0.5
|
C4'
|
A:FLF2002
|
3.7
|
37.2
|
0.5
|
O
|
A:HOH2195
|
3.7
|
40.2
|
1.0
|
O
|
A:HOH2234
|
4.1
|
38.6
|
1.0
|
C5'
|
A:FLF2002
|
4.2
|
36.2
|
0.5
|
C1'
|
A:FLF2002
|
4.6
|
35.1
|
0.5
|
C1'
|
A:FLF2002
|
4.7
|
35.3
|
0.5
|
C3'
|
A:FLF2002
|
4.8
|
37.9
|
0.5
|
C6'
|
A:FLF2002
|
4.9
|
35.4
|
0.5
|
|
Fluorine binding site 9 out
of 9 in 1s2c
Go back to
Fluorine Binding Sites List in 1s2c
Fluorine binding site 9 out
of 9 in the Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Crystal Structures of Prostaglandin D2 11-Ketoreductase in Complex with the Non-Steroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F2002
b:40.8
occ:0.50
|
F3
|
A:FLF2002
|
0.0
|
40.8
|
0.5
|
C7'
|
A:FLF2002
|
1.3
|
39.5
|
0.5
|
F1
|
A:FLF2002
|
2.1
|
40.7
|
0.5
|
F2
|
A:FLF2002
|
2.2
|
40.7
|
0.5
|
C3'
|
A:FLF2002
|
2.3
|
37.9
|
0.5
|
NH2
|
A:ARG258
|
2.5
|
16.3
|
1.0
|
C5'
|
A:FLF2002
|
2.7
|
36.2
|
0.5
|
CZ
|
A:ARG258
|
2.8
|
15.5
|
1.0
|
C4'
|
A:FLF2002
|
2.8
|
37.2
|
0.5
|
C6'
|
A:FLF2002
|
3.3
|
35.4
|
0.5
|
NE
|
A:ARG258
|
3.3
|
12.5
|
1.0
|
NH1
|
A:ARG258
|
3.4
|
15.4
|
1.0
|
C2'
|
A:FLF2002
|
3.4
|
36.2
|
0.5
|
CG
|
A:GLN262
|
3.4
|
12.7
|
1.0
|
C4'
|
A:FLF2002
|
3.8
|
36.7
|
0.5
|
CB
|
A:LEU261
|
3.8
|
11.1
|
1.0
|
O
|
A:HOH2229
|
3.9
|
37.2
|
1.0
|
O
|
A:HOH2201
|
3.9
|
24.3
|
1.0
|
C
|
A:LEU261
|
4.1
|
10.7
|
1.0
|
N
|
A:GLN262
|
4.1
|
11.2
|
1.0
|
C5'
|
A:FLF2002
|
4.2
|
36.5
|
0.5
|
O
|
A:LEU261
|
4.2
|
10.7
|
1.0
|
CA
|
A:GLN262
|
4.2
|
12.2
|
1.0
|
CD
|
A:ARG258
|
4.4
|
12.3
|
1.0
|
CD
|
A:GLN262
|
4.4
|
12.8
|
1.0
|
OE1
|
A:GLN262
|
4.5
|
11.4
|
1.0
|
CB
|
A:GLN262
|
4.5
|
12.4
|
1.0
|
C1'
|
A:FLF2002
|
4.6
|
35.3
|
0.5
|
CA
|
A:LEU261
|
4.6
|
10.5
|
1.0
|
C1'
|
A:FLF2002
|
4.7
|
35.1
|
0.5
|
CD1
|
A:LEU261
|
4.7
|
13.1
|
1.0
|
C6'
|
A:FLF2002
|
4.9
|
35.5
|
0.5
|
O
|
A:HOH2234
|
4.9
|
38.6
|
1.0
|
CG
|
A:LEU261
|
4.9
|
11.3
|
1.0
|
|
Reference:
A.L.Lovering,
J.P.Ride,
C.M.Bunce,
J.C.Desmond,
S.M.Cummings,
S.A.White.
Crystal Structures of Prostaglandin D(2) 11-Ketoreductase (AKR1C3) in Complex with the Nonsteroidal Anti-Inflammatory Drugs Flufenamic Acid and Indomethacin. Cancer Res. V. 64 1802 2004.
ISSN: ISSN 0008-5472
PubMed: 14996743
DOI: 10.1158/0008-5472.CAN-03-2847
Page generated: Wed Jul 31 12:50:13 2024
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