Arsenic in PDB 4w9h: Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
Protein crystallography data
The structure of Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7), PDB code: 4w9h
was solved by
M.S.Gadd,
P.Soares,
C.Galdeano,
I.Van Molle,
A.Ciulli,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
93.10 /
2.10
|
Space group
|
P 41 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
92.980,
92.980,
364.372,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
21 /
25.3
|
Arsenic Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Arsenic atom in the Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
(pdb code 4w9h). This binding sites where shown within
5.0 Angstroms radius around Arsenic atom.
In total 14 binding sites of Arsenic where determined in the
Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7), PDB code: 4w9h:
Jump to Arsenic binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Arsenic binding site 1 out
of 14 in 4w9h
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Arsenic Binding Sites List in 4w9h
Arsenic binding site 1 out
of 14 in the Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 1 of Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:As60
b:53.2
occ:1.00
|
AS
|
A:CAS60
|
0.0
|
53.2
|
1.0
|
CE1
|
A:CAS60
|
2.0
|
53.2
|
1.0
|
CE2
|
A:CAS60
|
2.0
|
50.8
|
1.0
|
SG
|
A:CAS60
|
2.3
|
39.2
|
1.0
|
CB
|
A:CAS60
|
3.1
|
33.3
|
1.0
|
CA
|
A:CAS60
|
3.5
|
31.0
|
1.0
|
CD2
|
A:LEU51
|
3.6
|
34.8
|
1.0
|
N
|
A:CAS60
|
4.2
|
29.6
|
1.0
|
NE2
|
A:GLN49
|
4.4
|
43.9
|
1.0
|
CB
|
A:LYS55
|
4.4
|
30.5
|
1.0
|
CG
|
A:LYS55
|
4.5
|
34.4
|
1.0
|
O
|
A:GLU59
|
4.6
|
32.1
|
1.0
|
C
|
A:GLU59
|
4.7
|
31.6
|
1.0
|
C
|
A:CAS60
|
4.7
|
32.4
|
1.0
|
CA
|
A:LEU51
|
4.8
|
37.1
|
1.0
|
CG
|
A:LEU51
|
4.8
|
35.8
|
1.0
|
CD
|
A:GLN49
|
4.8
|
42.4
|
1.0
|
CB
|
A:LEU51
|
4.8
|
36.0
|
1.0
|
O
|
A:CAS60
|
4.9
|
32.4
|
1.0
|
|
Arsenic binding site 2 out
of 14 in 4w9h
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Arsenic Binding Sites List in 4w9h
Arsenic binding site 2 out
of 14 in the Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 2 of Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:As89
b:74.5
occ:1.00
|
AS
|
A:CAS89
|
0.0
|
74.5
|
1.0
|
CE2
|
A:CAS89
|
2.0
|
75.8
|
1.0
|
CE1
|
A:CAS89
|
2.0
|
75.7
|
1.0
|
SG
|
A:CAS89
|
2.2
|
61.0
|
1.0
|
CB
|
A:CAS89
|
3.1
|
51.1
|
1.0
|
CA
|
A:CAS89
|
3.6
|
46.1
|
1.0
|
N
|
A:ILE90
|
4.0
|
41.6
|
1.0
|
C
|
A:CAS89
|
4.0
|
42.5
|
1.0
|
OE2
|
A:GLU91
|
4.3
|
60.3
|
1.0
|
O
|
A:ILE90
|
4.6
|
40.8
|
1.0
|
C
|
A:ILE90
|
4.7
|
40.8
|
1.0
|
O
|
A:CAS89
|
4.9
|
40.5
|
1.0
|
N
|
A:CAS89
|
4.9
|
43.5
|
1.0
|
|
Arsenic binding site 3 out
of 14 in 4w9h
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Arsenic Binding Sites List in 4w9h
Arsenic binding site 3 out
of 14 in the Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 3 of Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:As112
b:96.3
occ:1.00
|
AS
|
B:CAS112
|
0.0
|
96.3
|
1.0
|
CE2
|
B:CAS112
|
2.0
|
87.8
|
1.0
|
CE1
|
B:CAS112
|
2.0
|
88.7
|
1.0
|
SG
|
B:CAS112
|
2.2
|
64.3
|
1.0
|
CB
|
B:CAS112
|
2.7
|
61.8
|
1.0
|
CE1
|
B:PHE77
|
3.5
|
42.1
|
1.0
|
CB
|
B:SER39
|
4.0
|
41.4
|
1.0
|
CA
|
B:CAS112
|
4.1
|
54.9
|
1.0
|
CZ
|
B:PHE77
|
4.3
|
42.5
|
1.0
|
CD1
|
B:PHE77
|
4.3
|
39.3
|
1.0
|
CB
|
B:LEU110
|
4.3
|
37.8
|
1.0
|
CA
|
B:SER39
|
4.5
|
43.7
|
1.0
|
N
|
B:CAS112
|
4.6
|
50.1
|
1.0
|
O
|
B:LEU110
|
4.6
|
40.8
|
1.0
|
C
|
B:CAS112
|
4.6
|
50.4
|
1.0
|
N
|
B:SER39
|
4.7
|
47.4
|
1.0
|
OG
|
B:SER39
|
4.7
|
42.3
|
1.0
|
O
|
B:CAS112
|
4.7
|
50.9
|
1.0
|
CG2
|
B:THR38
|
4.8
|
61.5
|
1.0
|
CG1
|
B:VAL73
|
4.8
|
30.2
|
1.0
|
CD2
|
B:TYR76
|
4.9
|
33.1
|
1.0
|
CD1
|
B:LEU110
|
4.9
|
37.7
|
1.0
|
C
|
B:LEU110
|
5.0
|
40.2
|
1.0
|
|
Arsenic binding site 4 out
of 14 in 4w9h
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Arsenic Binding Sites List in 4w9h
Arsenic binding site 4 out
of 14 in the Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 4 of Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:As77
b:52.3
occ:1.00
|
AS
|
C:CAS77
|
0.0
|
52.3
|
1.0
|
CE1
|
C:CAS77
|
2.0
|
56.1
|
1.0
|
CE2
|
C:CAS77
|
2.0
|
54.4
|
1.0
|
SG
|
C:CAS77
|
2.2
|
41.5
|
1.0
|
CB
|
C:CAS77
|
3.0
|
37.8
|
1.0
|
CA
|
C:CAS77
|
3.6
|
34.0
|
1.0
|
CE
|
K:MET45
|
4.0
|
81.1
|
1.0
|
CZ
|
C:PHE148
|
4.1
|
55.8
|
1.0
|
CA
|
C:GLY106
|
4.2
|
44.9
|
1.0
|
O
|
C:THR105
|
4.3
|
39.5
|
1.0
|
C
|
C:CAS77
|
4.4
|
33.6
|
1.0
|
N
|
C:GLY106
|
4.5
|
43.7
|
1.0
|
C
|
C:THR105
|
4.5
|
42.5
|
1.0
|
N
|
C:ASN78
|
4.6
|
32.9
|
1.0
|
CZ
|
K:PHE109
|
4.7
|
59.2
|
1.0
|
CE2
|
C:PHE148
|
4.7
|
58.5
|
1.0
|
N
|
C:CAS77
|
4.8
|
31.5
|
1.0
|
SD
|
K:MET45
|
4.9
|
77.8
|
1.0
|
CG
|
K:MET45
|
4.9
|
69.0
|
1.0
|
CG2
|
C:ILE75
|
4.9
|
38.0
|
1.0
|
NH2
|
C:ARG79
|
5.0
|
68.2
|
1.0
|
O
|
C:PHE76
|
5.0
|
30.8
|
1.0
|
|
Arsenic binding site 5 out
of 14 in 4w9h
Go back to
Arsenic Binding Sites List in 4w9h
Arsenic binding site 5 out
of 14 in the Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 5 of Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:As60
b:52.7
occ:1.00
|
AS
|
D:CAS60
|
0.0
|
52.7
|
1.0
|
CE1
|
D:CAS60
|
2.0
|
55.5
|
1.0
|
CE2
|
D:CAS60
|
2.0
|
58.9
|
1.0
|
SG
|
D:CAS60
|
2.2
|
44.4
|
1.0
|
CB
|
D:CAS60
|
3.1
|
37.5
|
1.0
|
CA
|
D:CAS60
|
3.4
|
33.5
|
1.0
|
N
|
D:CAS60
|
4.1
|
31.6
|
1.0
|
CD2
|
D:LEU51
|
4.1
|
39.1
|
1.0
|
NE2
|
D:GLN49
|
4.3
|
36.4
|
1.0
|
O
|
D:GLU59
|
4.5
|
31.9
|
1.0
|
C
|
D:GLU59
|
4.5
|
31.8
|
1.0
|
CG
|
D:LYS55
|
4.6
|
46.1
|
1.0
|
CB
|
D:LYS55
|
4.6
|
43.1
|
1.0
|
C
|
D:CAS60
|
4.6
|
31.9
|
1.0
|
CD
|
D:GLN49
|
4.8
|
36.0
|
1.0
|
O
|
D:CAS60
|
4.9
|
31.7
|
1.0
|
|
Arsenic binding site 6 out
of 14 in 4w9h
Go back to
Arsenic Binding Sites List in 4w9h
Arsenic binding site 6 out
of 14 in the Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 6 of Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:As89
b:92.4
occ:1.00
|
AS
|
D:CAS89
|
0.0
|
92.4
|
1.0
|
CE1
|
D:CAS89
|
2.0
|
90.4
|
1.0
|
CE2
|
D:CAS89
|
2.0
|
94.3
|
1.0
|
SG
|
D:CAS89
|
2.2
|
82.9
|
1.0
|
CB
|
D:CAS89
|
3.1
|
66.6
|
1.0
|
CA
|
D:CAS89
|
3.6
|
58.6
|
1.0
|
N
|
D:ILE90
|
4.1
|
52.0
|
1.0
|
C
|
D:CAS89
|
4.1
|
53.5
|
1.0
|
O
|
D:ILE90
|
4.8
|
48.8
|
1.0
|
C
|
D:ILE90
|
4.8
|
47.9
|
1.0
|
N
|
D:CAS89
|
5.0
|
55.4
|
1.0
|
O
|
D:CAS89
|
5.0
|
51.6
|
1.0
|
|
Arsenic binding site 7 out
of 14 in 4w9h
Go back to
Arsenic Binding Sites List in 4w9h
Arsenic binding site 7 out
of 14 in the Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 7 of Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:As112
b:92.6
occ:1.00
|
AS
|
E:CAS112
|
0.0
|
92.6
|
1.0
|
CE1
|
E:CAS112
|
2.0
|
90.2
|
1.0
|
CE2
|
E:CAS112
|
2.0
|
86.1
|
1.0
|
SG
|
E:CAS112
|
2.2
|
58.5
|
1.0
|
CB
|
E:CAS112
|
2.8
|
50.1
|
1.0
|
CE1
|
E:PHE77
|
3.4
|
45.0
|
1.0
|
CG1
|
E:VAL73
|
4.2
|
29.4
|
1.0
|
CZ
|
E:PHE77
|
4.2
|
43.5
|
1.0
|
CB
|
E:LEU110
|
4.2
|
34.8
|
1.0
|
CA
|
E:CAS112
|
4.2
|
42.3
|
1.0
|
CD1
|
E:PHE77
|
4.3
|
42.6
|
1.0
|
CB
|
E:SER39
|
4.3
|
44.1
|
1.0
|
CD1
|
E:LEU110
|
4.5
|
36.1
|
1.0
|
N
|
E:CAS112
|
4.7
|
36.0
|
1.0
|
C
|
E:CAS112
|
4.7
|
40.5
|
1.0
|
CD2
|
F:LEU158
|
4.7
|
32.9
|
1.0
|
CD2
|
E:TYR76
|
4.8
|
27.9
|
1.0
|
O
|
E:CAS112
|
4.8
|
41.6
|
1.0
|
OG
|
E:SER39
|
4.9
|
41.6
|
1.0
|
CG
|
E:LEU110
|
5.0
|
35.7
|
1.0
|
O
|
E:LEU110
|
5.0
|
34.0
|
1.0
|
|
Arsenic binding site 8 out
of 14 in 4w9h
Go back to
Arsenic Binding Sites List in 4w9h
Arsenic binding site 8 out
of 14 in the Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 8 of Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:As77
b:47.1
occ:1.00
|
AS
|
F:CAS77
|
0.0
|
47.1
|
1.0
|
CE1
|
F:CAS77
|
2.0
|
49.9
|
1.0
|
CE2
|
F:CAS77
|
2.0
|
50.4
|
1.0
|
SG
|
F:CAS77
|
2.2
|
37.2
|
1.0
|
CB
|
F:CAS77
|
3.1
|
33.1
|
1.0
|
CA
|
F:CAS77
|
3.6
|
29.9
|
1.0
|
CA
|
F:GLY106
|
4.1
|
38.2
|
1.0
|
CE
|
H:MET45
|
4.1
|
50.8
|
1.0
|
O
|
F:THR105
|
4.1
|
32.5
|
1.0
|
CZ
|
F:PHE148
|
4.2
|
48.5
|
1.0
|
N
|
F:GLY106
|
4.3
|
35.4
|
1.0
|
C
|
F:THR105
|
4.3
|
36.6
|
1.0
|
C
|
F:CAS77
|
4.4
|
29.5
|
1.0
|
N
|
F:ASN78
|
4.6
|
28.8
|
1.0
|
CG
|
H:MET45
|
4.7
|
50.4
|
1.0
|
NH1
|
F:ARG79
|
4.8
|
63.8
|
1.0
|
SD
|
H:MET45
|
4.8
|
50.9
|
1.0
|
N
|
F:CAS77
|
4.8
|
29.6
|
1.0
|
CE1
|
F:PHE148
|
4.9
|
45.6
|
1.0
|
|
Arsenic binding site 9 out
of 14 in 4w9h
Go back to
Arsenic Binding Sites List in 4w9h
Arsenic binding site 9 out
of 14 in the Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 9 of Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:As60
b:50.8
occ:1.00
|
AS
|
G:CAS60
|
0.0
|
50.8
|
1.0
|
CE1
|
G:CAS60
|
2.0
|
50.3
|
1.0
|
CE2
|
G:CAS60
|
2.0
|
52.5
|
1.0
|
SG
|
G:CAS60
|
2.2
|
43.5
|
1.0
|
CB
|
G:CAS60
|
3.1
|
39.7
|
1.0
|
CA
|
G:CAS60
|
3.4
|
38.4
|
1.0
|
CD2
|
G:LEU51
|
3.8
|
36.8
|
1.0
|
N
|
G:CAS60
|
4.1
|
38.4
|
1.0
|
NE2
|
G:GLN49
|
4.2
|
35.8
|
1.0
|
CD
|
G:GLN49
|
4.6
|
33.8
|
1.0
|
C
|
G:CAS60
|
4.6
|
37.4
|
1.0
|
O
|
G:GLU59
|
4.6
|
40.4
|
1.0
|
C
|
G:GLU59
|
4.6
|
40.2
|
1.0
|
CB
|
G:LYS55
|
4.8
|
45.9
|
1.0
|
CG
|
G:LYS55
|
4.8
|
47.8
|
1.0
|
O
|
G:CAS60
|
4.8
|
39.2
|
1.0
|
OE1
|
G:GLN49
|
4.9
|
31.9
|
1.0
|
|
Arsenic binding site 10 out
of 14 in 4w9h
Go back to
Arsenic Binding Sites List in 4w9h
Arsenic binding site 10 out
of 14 in the Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7)
Mono view
Stereo pair view
|
A full contact list of Arsenic with other atoms in the As binding
site number 10 of Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-Acetamido-3,3- Dimethylbutanoyl)-4-Hydroxy-N-(4-(4-Methylthiazol-5-Yl)Benzyl) Pyrrolidine-2-Carboxamide (Ligand 7) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:As89
b:74.9
occ:1.00
|
AS
|
G:CAS89
|
0.0
|
74.9
|
1.0
|
CE1
|
G:CAS89
|
2.0
|
74.7
|
1.0
|
CE2
|
G:CAS89
|
2.0
|
78.9
|
1.0
|
SG
|
G:CAS89
|
2.2
|
54.8
|
1.0
|
CB
|
G:CAS89
|
2.9
|
42.9
|
1.0
|
CA
|
G:CAS89
|
3.5
|
37.6
|
1.0
|
O
|
G:HOH251
|
3.8
|
48.5
|
1.0
|
C
|
G:CAS89
|
4.1
|
33.5
|
1.0
|
N
|
G:ILE90
|
4.1
|
32.0
|
1.0
|
O
|
G:HOH222
|
4.6
|
39.8
|
1.0
|
O
|
G:ILE90
|
4.7
|
31.5
|
1.0
|
N
|
G:CAS89
|
4.9
|
35.5
|
1.0
|
C
|
G:ILE90
|
4.9
|
32.0
|
1.0
|
O
|
G:CAS89
|
5.0
|
32.4
|
1.0
|
|
Reference:
C.Galdeano,
M.S.Gadd,
P.Soares,
S.Scaffidi,
I.Van Molle,
I.Birced,
S.Hewitt,
D.M.Dias,
A.Ciulli.
Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction Between the Von Hippel-Lindau (Vhl) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (Hif) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem. V. 57 8657 2014.
ISSN: ISSN 0022-2623
PubMed: 25166285
DOI: 10.1021/JM5011258
Page generated: Wed Jul 10 12:30:18 2024
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