Chlorine in PDB 5x1v: PKM2 in Complex with Compound 2
Enzymatic activity of PKM2 in Complex with Compound 2
All present enzymatic activity of PKM2 in Complex with Compound 2:
2.7.1.40;
Protein crystallography data
The structure of PKM2 in Complex with Compound 2, PDB code: 5x1v
was solved by
Y.Matsui,
H.Hanzawa,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
20.00 /
2.10
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
80.468,
151.658,
92.079,
90.00,
102.44,
90.00
|
|
R / Rfree (%)
|
23.4 /
27.4
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the PKM2 in Complex with Compound 2
(pdb code 5x1v). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
PKM2 in Complex with Compound 2, PDB code: 5x1v:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 5x1v
Go back to
Chlorine Binding Sites List in 5x1v
Chlorine binding site 1 out
of 8 in the PKM2 in Complex with Compound 2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of PKM2 in Complex with Compound 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl602
b:38.6
occ:1.00
|
CL1
|
A:7XX602
|
0.0
|
38.6
|
1.0
|
|
C8
|
A:7XX602
|
1.7
|
41.4
|
1.0
|
|
C3
|
A:7XX602
|
2.6
|
39.9
|
1.0
|
|
C9
|
A:7XX602
|
2.7
|
39.2
|
1.0
|
|
CL2
|
A:7XX602
|
3.0
|
41.9
|
1.0
|
|
OE1
|
A:GLU397
|
3.1
|
32.2
|
1.0
|
|
CD1
|
B:PHE26
|
3.7
|
28.6
|
1.0
|
|
CD1
|
A:LEU394
|
3.8
|
35.6
|
1.0
|
|
CD
|
A:GLU397
|
3.8
|
32.9
|
1.0
|
|
CB
|
B:PHE26
|
3.8
|
27.2
|
1.0
|
|
N
|
B:LEU27
|
3.9
|
25.6
|
1.0
|
|
C1
|
A:7XX602
|
3.9
|
41.5
|
1.0
|
|
C6
|
A:7XX602
|
3.9
|
40.7
|
1.0
|
|
CA
|
A:LEU394
|
4.2
|
36.1
|
1.0
|
|
CG
|
B:PHE26
|
4.2
|
28.4
|
1.0
|
|
OE2
|
A:GLU397
|
4.3
|
32.9
|
1.0
|
|
CB
|
B:LEU27
|
4.3
|
27.4
|
1.0
|
|
CG
|
A:GLN393
|
4.4
|
37.9
|
1.0
|
|
C2
|
A:7XX602
|
4.4
|
39.9
|
1.0
|
|
CA
|
B:LEU27
|
4.4
|
26.4
|
1.0
|
|
C
|
B:PHE26
|
4.4
|
25.7
|
1.0
|
|
CB
|
A:LEU394
|
4.5
|
36.2
|
1.0
|
|
CB
|
A:GLU397
|
4.6
|
34.0
|
1.0
|
|
N
|
A:LEU394
|
4.6
|
36.2
|
1.0
|
|
CA
|
B:PHE26
|
4.7
|
26.7
|
1.0
|
|
CE1
|
B:PHE26
|
4.7
|
29.6
|
1.0
|
|
CG
|
A:GLU397
|
4.7
|
33.5
|
1.0
|
|
CG
|
A:LEU394
|
4.7
|
36.6
|
1.0
|
|
C
|
A:GLN393
|
4.9
|
36.7
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 5x1v
Go back to
Chlorine Binding Sites List in 5x1v
Chlorine binding site 2 out
of 8 in the PKM2 in Complex with Compound 2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of PKM2 in Complex with Compound 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl602
b:41.9
occ:1.00
|
CL2
|
A:7XX602
|
0.0
|
41.9
|
1.0
|
|
C9
|
A:7XX602
|
1.7
|
39.2
|
1.0
|
|
C8
|
A:7XX602
|
2.7
|
41.4
|
1.0
|
|
C6
|
A:7XX602
|
2.7
|
40.7
|
1.0
|
|
CL1
|
A:7XX602
|
3.0
|
38.6
|
1.0
|
|
C11
|
A:7XX602
|
3.2
|
40.2
|
1.0
|
|
O16
|
A:7XX602
|
3.2
|
37.1
|
1.0
|
|
O
|
A:TYR390
|
3.6
|
37.0
|
1.0
|
|
CG
|
A:GLN393
|
3.7
|
37.9
|
1.0
|
|
CB
|
A:GLN393
|
3.8
|
37.2
|
1.0
|
|
N
|
A:LEU394
|
3.9
|
36.2
|
1.0
|
|
C3
|
A:7XX602
|
4.0
|
39.9
|
1.0
|
|
C2
|
A:7XX602
|
4.0
|
39.9
|
1.0
|
|
CE2
|
A:PHE26
|
4.0
|
33.7
|
1.0
|
|
CB
|
A:LEU394
|
4.0
|
36.2
|
1.0
|
|
CA
|
A:LEU394
|
4.2
|
36.1
|
1.0
|
|
CD
|
A:GLN393
|
4.2
|
38.5
|
1.0
|
|
C7
|
A:7XX602
|
4.3
|
42.2
|
1.0
|
|
CB
|
A:TYR390
|
4.3
|
37.8
|
1.0
|
|
CD2
|
A:PHE26
|
4.4
|
34.2
|
1.0
|
|
C
|
A:GLN393
|
4.4
|
36.7
|
1.0
|
|
OE1
|
A:GLN393
|
4.5
|
37.6
|
1.0
|
|
C1
|
A:7XX602
|
4.5
|
41.5
|
1.0
|
|
C
|
A:TYR390
|
4.6
|
37.1
|
1.0
|
|
CD2
|
A:TYR390
|
4.6
|
40.4
|
1.0
|
|
CD1
|
B:PHE26
|
4.6
|
28.6
|
1.0
|
|
CA
|
A:GLN393
|
4.7
|
37.3
|
1.0
|
|
CD1
|
A:LEU394
|
4.9
|
35.6
|
1.0
|
|
CA
|
A:TYR390
|
4.9
|
37.8
|
1.0
|
|
CG
|
A:TYR390
|
4.9
|
39.3
|
1.0
|
|
NE2
|
A:GLN393
|
4.9
|
38.7
|
1.0
|
|
CG
|
A:LEU394
|
5.0
|
36.6
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 5x1v
Go back to
Chlorine Binding Sites List in 5x1v
Chlorine binding site 3 out
of 8 in the PKM2 in Complex with Compound 2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of PKM2 in Complex with Compound 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl602
b:35.8
occ:1.00
|
CL1
|
B:7XX602
|
0.0
|
35.8
|
1.0
|
|
C8
|
B:7XX602
|
1.7
|
39.0
|
1.0
|
|
C3
|
B:7XX602
|
2.6
|
39.0
|
1.0
|
|
C9
|
B:7XX602
|
2.7
|
39.8
|
1.0
|
|
CL2
|
B:7XX602
|
3.1
|
38.2
|
1.0
|
|
OE1
|
B:GLU397
|
3.1
|
33.8
|
1.0
|
|
CD1
|
A:PHE26
|
3.7
|
34.2
|
1.0
|
|
N
|
A:LEU27
|
3.8
|
34.1
|
1.0
|
|
CD1
|
B:LEU394
|
3.8
|
26.6
|
1.0
|
|
CB
|
A:PHE26
|
3.8
|
34.2
|
1.0
|
|
C1
|
B:7XX602
|
3.9
|
39.9
|
1.0
|
|
CD
|
B:GLU397
|
3.9
|
34.9
|
1.0
|
|
C6
|
B:7XX602
|
3.9
|
40.0
|
1.0
|
|
CB
|
A:LEU27
|
4.0
|
35.1
|
1.0
|
|
CG
|
A:PHE26
|
4.2
|
34.5
|
1.0
|
|
CA
|
A:LEU27
|
4.2
|
35.7
|
1.0
|
|
CA
|
B:LEU394
|
4.2
|
27.7
|
1.0
|
|
C
|
A:PHE26
|
4.4
|
33.9
|
1.0
|
|
C2
|
B:7XX602
|
4.4
|
39.2
|
1.0
|
|
CG
|
B:GLN393
|
4.5
|
30.1
|
1.0
|
|
CB
|
B:LEU394
|
4.5
|
27.6
|
1.0
|
|
OE2
|
B:GLU397
|
4.5
|
34.9
|
1.0
|
|
CA
|
A:PHE26
|
4.7
|
34.7
|
1.0
|
|
CE1
|
A:PHE26
|
4.7
|
34.2
|
1.0
|
|
CB
|
B:GLU397
|
4.7
|
35.6
|
1.0
|
|
N
|
B:LEU394
|
4.7
|
28.1
|
1.0
|
|
CG
|
B:GLU397
|
4.8
|
35.2
|
1.0
|
|
CG
|
B:LEU394
|
4.8
|
26.6
|
1.0
|
|
NE2
|
B:GLN393
|
5.0
|
32.1
|
1.0
|
|
Chlorine binding site 4 out
of 8 in 5x1v
Go back to
Chlorine Binding Sites List in 5x1v
Chlorine binding site 4 out
of 8 in the PKM2 in Complex with Compound 2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of PKM2 in Complex with Compound 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl602
b:38.2
occ:1.00
|
CL2
|
B:7XX602
|
0.0
|
38.2
|
1.0
|
|
C9
|
B:7XX602
|
1.7
|
39.8
|
1.0
|
|
C8
|
B:7XX602
|
2.7
|
39.0
|
1.0
|
|
C6
|
B:7XX602
|
2.7
|
40.0
|
1.0
|
|
CL1
|
B:7XX602
|
3.1
|
35.8
|
1.0
|
|
C11
|
B:7XX602
|
3.1
|
39.4
|
1.0
|
|
O16
|
B:7XX602
|
3.2
|
37.9
|
1.0
|
|
O
|
B:TYR390
|
3.6
|
26.5
|
1.0
|
|
CG
|
B:GLN393
|
3.6
|
30.1
|
1.0
|
|
N
|
B:LEU394
|
3.8
|
28.1
|
1.0
|
|
CB
|
B:LEU394
|
3.9
|
27.6
|
1.0
|
|
C2
|
B:7XX602
|
4.0
|
39.2
|
1.0
|
|
C3
|
B:7XX602
|
4.0
|
39.0
|
1.0
|
|
CA
|
B:LEU394
|
4.0
|
27.7
|
1.0
|
|
CB
|
B:GLN393
|
4.1
|
28.7
|
1.0
|
|
CB
|
B:TYR390
|
4.2
|
25.5
|
1.0
|
|
CD
|
B:GLN393
|
4.2
|
31.4
|
1.0
|
|
C7
|
B:7XX602
|
4.2
|
40.6
|
1.0
|
|
C
|
B:GLN393
|
4.4
|
27.1
|
1.0
|
|
CE2
|
B:PHE26
|
4.4
|
29.7
|
1.0
|
|
OE1
|
B:GLN393
|
4.5
|
33.9
|
1.0
|
|
C1
|
B:7XX602
|
4.5
|
39.9
|
1.0
|
|
C
|
B:TYR390
|
4.6
|
26.6
|
1.0
|
|
CD2
|
B:PHE26
|
4.6
|
29.4
|
1.0
|
|
CD1
|
A:PHE26
|
4.6
|
34.2
|
1.0
|
|
CD2
|
B:TYR390
|
4.6
|
24.9
|
1.0
|
|
CD1
|
B:LEU394
|
4.7
|
26.6
|
1.0
|
|
CA
|
B:GLN393
|
4.7
|
27.9
|
1.0
|
|
CA
|
B:TYR390
|
4.8
|
26.1
|
1.0
|
|
CG
|
B:TYR390
|
4.8
|
25.0
|
1.0
|
|
NE2
|
B:GLN393
|
4.8
|
32.1
|
1.0
|
|
CG
|
B:LEU394
|
4.9
|
26.6
|
1.0
|
|
C5
|
B:7XX602
|
5.0
|
39.8
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 5x1v
Go back to
Chlorine Binding Sites List in 5x1v
Chlorine binding site 5 out
of 8 in the PKM2 in Complex with Compound 2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of PKM2 in Complex with Compound 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl602
b:44.5
occ:1.00
|
CL1
|
C:7XX602
|
0.0
|
44.5
|
1.0
|
|
C8
|
C:7XX602
|
1.7
|
42.6
|
1.0
|
|
C3
|
C:7XX602
|
2.6
|
41.4
|
1.0
|
|
C9
|
C:7XX602
|
2.7
|
42.5
|
1.0
|
|
CL2
|
C:7XX602
|
3.1
|
45.5
|
1.0
|
|
OE1
|
C:GLU397
|
3.2
|
37.4
|
1.0
|
|
CB
|
D:PHE26
|
3.7
|
32.5
|
1.0
|
|
CD
|
C:GLU397
|
3.7
|
38.1
|
1.0
|
|
CD1
|
D:PHE26
|
3.8
|
33.2
|
1.0
|
|
CD1
|
C:LEU394
|
3.8
|
30.6
|
1.0
|
|
N
|
D:LEU27
|
3.8
|
31.4
|
1.0
|
|
C1
|
C:7XX602
|
3.9
|
41.0
|
1.0
|
|
C6
|
C:7XX602
|
4.0
|
40.8
|
1.0
|
|
OE2
|
C:GLU397
|
4.1
|
39.0
|
1.0
|
|
CG
|
D:PHE26
|
4.1
|
32.8
|
1.0
|
|
CA
|
C:LEU394
|
4.2
|
32.3
|
1.0
|
|
CB
|
D:LEU27
|
4.2
|
32.2
|
1.0
|
|
C
|
D:PHE26
|
4.3
|
31.6
|
1.0
|
|
CG
|
C:GLN393
|
4.4
|
34.8
|
1.0
|
|
CA
|
D:LEU27
|
4.4
|
32.0
|
1.0
|
|
C2
|
C:7XX602
|
4.4
|
39.1
|
1.0
|
|
CA
|
D:PHE26
|
4.6
|
32.1
|
1.0
|
|
N
|
C:LEU394
|
4.6
|
32.3
|
1.0
|
|
CB
|
C:LEU394
|
4.6
|
30.9
|
1.0
|
|
CG
|
C:GLU397
|
4.6
|
37.6
|
1.0
|
|
CB
|
C:GLU397
|
4.7
|
36.0
|
1.0
|
|
CG
|
C:LEU394
|
4.8
|
30.4
|
1.0
|
|
CE1
|
D:PHE26
|
4.8
|
33.9
|
1.0
|
|
C
|
C:GLN393
|
4.9
|
33.1
|
1.0
|
|
NE2
|
C:GLN393
|
4.9
|
35.6
|
1.0
|
|
CD
|
C:GLN393
|
4.9
|
35.9
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 5x1v
Go back to
Chlorine Binding Sites List in 5x1v
Chlorine binding site 6 out
of 8 in the PKM2 in Complex with Compound 2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of PKM2 in Complex with Compound 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl602
b:45.5
occ:1.00
|
CL2
|
C:7XX602
|
0.0
|
45.5
|
1.0
|
|
C9
|
C:7XX602
|
1.7
|
42.5
|
1.0
|
|
C8
|
C:7XX602
|
2.7
|
42.6
|
1.0
|
|
C6
|
C:7XX602
|
2.7
|
40.8
|
1.0
|
|
CL1
|
C:7XX602
|
3.1
|
44.5
|
1.0
|
|
C11
|
C:7XX602
|
3.1
|
40.1
|
1.0
|
|
O16
|
C:7XX602
|
3.2
|
40.9
|
1.0
|
|
O
|
C:TYR390
|
3.6
|
30.6
|
1.0
|
|
CG
|
C:GLN393
|
3.6
|
34.8
|
1.0
|
|
N
|
C:LEU394
|
3.8
|
32.3
|
1.0
|
|
CB
|
C:GLN393
|
3.8
|
33.7
|
1.0
|
|
C2
|
C:7XX602
|
4.0
|
39.1
|
1.0
|
|
C3
|
C:7XX602
|
4.0
|
41.4
|
1.0
|
|
CB
|
C:LEU394
|
4.1
|
30.9
|
1.0
|
|
CA
|
C:LEU394
|
4.1
|
32.3
|
1.0
|
|
CD
|
C:GLN393
|
4.2
|
35.9
|
1.0
|
|
C7
|
C:7XX602
|
4.2
|
39.8
|
1.0
|
|
CB
|
C:TYR390
|
4.2
|
30.2
|
1.0
|
|
CE2
|
C:PHE26
|
4.3
|
34.2
|
1.0
|
|
C
|
C:GLN393
|
4.4
|
33.1
|
1.0
|
|
OE1
|
C:GLN393
|
4.4
|
36.6
|
1.0
|
|
C1
|
C:7XX602
|
4.5
|
41.0
|
1.0
|
|
CD2
|
C:PHE26
|
4.5
|
34.0
|
1.0
|
|
C
|
C:TYR390
|
4.5
|
30.6
|
1.0
|
|
CD2
|
C:TYR390
|
4.6
|
30.1
|
1.0
|
|
CA
|
C:GLN393
|
4.6
|
33.5
|
1.0
|
|
CD1
|
D:PHE26
|
4.7
|
33.2
|
1.0
|
|
CD1
|
C:LEU394
|
4.8
|
30.6
|
1.0
|
|
CA
|
C:TYR390
|
4.8
|
30.5
|
1.0
|
|
CG
|
C:TYR390
|
4.9
|
29.9
|
1.0
|
|
NE2
|
C:GLN393
|
4.9
|
35.6
|
1.0
|
|
CG
|
D:PHE26
|
4.9
|
32.8
|
1.0
|
|
C5
|
C:7XX602
|
4.9
|
39.4
|
1.0
|
|
CG
|
C:LEU394
|
4.9
|
30.4
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 5x1v
Go back to
Chlorine Binding Sites List in 5x1v
Chlorine binding site 7 out
of 8 in the PKM2 in Complex with Compound 2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of PKM2 in Complex with Compound 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl602
b:39.2
occ:1.00
|
CL1
|
D:7XX602
|
0.0
|
39.2
|
1.0
|
|
C8
|
D:7XX602
|
1.7
|
40.5
|
1.0
|
|
C3
|
D:7XX602
|
2.7
|
39.1
|
1.0
|
|
C9
|
D:7XX602
|
2.7
|
40.8
|
1.0
|
|
CL2
|
D:7XX602
|
3.0
|
43.1
|
1.0
|
|
OE1
|
D:GLU397
|
3.2
|
32.2
|
1.0
|
|
CD1
|
C:PHE26
|
3.7
|
33.7
|
1.0
|
|
CD
|
D:GLU397
|
3.8
|
32.5
|
1.0
|
|
CD1
|
D:LEU394
|
3.8
|
31.0
|
1.0
|
|
CB
|
C:PHE26
|
3.9
|
33.2
|
1.0
|
|
C1
|
D:7XX602
|
3.9
|
38.2
|
1.0
|
|
N
|
C:LEU27
|
3.9
|
32.4
|
1.0
|
|
C6
|
D:7XX602
|
4.0
|
40.8
|
1.0
|
|
CA
|
D:LEU394
|
4.2
|
31.0
|
1.0
|
|
CG
|
C:PHE26
|
4.2
|
33.5
|
1.0
|
|
CD1
|
C:LEU27
|
4.3
|
34.1
|
1.0
|
|
CB
|
C:LEU27
|
4.3
|
33.2
|
1.0
|
|
OE2
|
D:GLU397
|
4.4
|
32.7
|
1.0
|
|
CA
|
C:LEU27
|
4.4
|
33.5
|
1.0
|
|
C2
|
D:7XX602
|
4.4
|
39.2
|
1.0
|
|
CB
|
D:LEU394
|
4.5
|
31.4
|
1.0
|
|
C
|
C:PHE26
|
4.5
|
32.3
|
1.0
|
|
CG
|
D:GLN393
|
4.5
|
32.2
|
1.0
|
|
CB
|
D:GLU397
|
4.6
|
32.2
|
1.0
|
|
CG
|
D:GLU397
|
4.6
|
32.4
|
1.0
|
|
N
|
D:LEU394
|
4.6
|
31.1
|
1.0
|
|
CE1
|
C:PHE26
|
4.7
|
34.8
|
1.0
|
|
CG
|
D:LEU394
|
4.8
|
30.4
|
1.0
|
|
CA
|
C:PHE26
|
4.8
|
32.4
|
1.0
|
|
C
|
D:GLN393
|
4.9
|
31.2
|
1.0
|
|
O
|
D:GLN393
|
4.9
|
31.5
|
1.0
|
|
CG
|
C:LEU27
|
5.0
|
33.5
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 5x1v
Go back to
Chlorine Binding Sites List in 5x1v
Chlorine binding site 8 out
of 8 in the PKM2 in Complex with Compound 2
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of PKM2 in Complex with Compound 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl602
b:43.1
occ:1.00
|
CL2
|
D:7XX602
|
0.0
|
43.1
|
1.0
|
|
C9
|
D:7XX602
|
1.7
|
40.8
|
1.0
|
|
C8
|
D:7XX602
|
2.7
|
40.5
|
1.0
|
|
C6
|
D:7XX602
|
2.7
|
40.8
|
1.0
|
|
CL1
|
D:7XX602
|
3.0
|
39.2
|
1.0
|
|
C11
|
D:7XX602
|
3.1
|
39.7
|
1.0
|
|
O16
|
D:7XX602
|
3.2
|
38.2
|
1.0
|
|
O
|
D:TYR390
|
3.6
|
28.3
|
1.0
|
|
CB
|
D:GLN393
|
3.8
|
31.2
|
1.0
|
|
CG
|
D:GLN393
|
3.8
|
32.2
|
1.0
|
|
N
|
D:LEU394
|
3.8
|
31.1
|
1.0
|
|
CB
|
D:LEU394
|
3.9
|
31.4
|
1.0
|
|
C3
|
D:7XX602
|
4.0
|
39.1
|
1.0
|
|
C2
|
D:7XX602
|
4.0
|
39.2
|
1.0
|
|
CA
|
D:LEU394
|
4.1
|
31.0
|
1.0
|
|
CD
|
D:GLN393
|
4.2
|
32.6
|
1.0
|
|
CE2
|
D:PHE26
|
4.2
|
33.7
|
1.0
|
|
C7
|
D:7XX602
|
4.2
|
40.1
|
1.0
|
|
CB
|
D:TYR390
|
4.3
|
27.1
|
1.0
|
|
C
|
D:GLN393
|
4.3
|
31.2
|
1.0
|
|
OE1
|
D:GLN393
|
4.4
|
33.8
|
1.0
|
|
C1
|
D:7XX602
|
4.5
|
38.2
|
1.0
|
|
CD2
|
D:PHE26
|
4.5
|
33.0
|
1.0
|
|
CD1
|
C:PHE26
|
4.6
|
33.7
|
1.0
|
|
C
|
D:TYR390
|
4.6
|
28.3
|
1.0
|
|
CA
|
D:GLN393
|
4.6
|
31.3
|
1.0
|
|
CD2
|
D:TYR390
|
4.6
|
26.8
|
1.0
|
|
CD1
|
D:LEU394
|
4.8
|
31.0
|
1.0
|
|
CA
|
D:TYR390
|
4.9
|
28.0
|
1.0
|
|
CG
|
D:TYR390
|
4.9
|
26.7
|
1.0
|
|
NE2
|
D:GLN393
|
4.9
|
31.9
|
1.0
|
|
CG
|
D:LEU394
|
4.9
|
30.4
|
1.0
|
|
Reference:
Y.Matsui,
I.Yasumatsu,
T.Asahi,
T.Kitamura,
K.Kanai,
O.Ubukata,
H.Hayasaka,
S.Takaishi,
H.Hanzawa,
S.Katakura.
Discovery and Structure-Guided Fragment-Linking of 4-(2,3-Dichlorobenzoyl)-1-Methyl-Pyrrole-2-Carboxamide As A Pyruvate Kinase M2 Activator Bioorg. Med. Chem. V. 25 3540 2017.
ISSN: ESSN 1464-3391
PubMed: 28511909
DOI: 10.1016/J.BMC.2017.05.004
Page generated: Fri Jul 26 20:45:25 2024
|
