Fluorine in PDB 6pyy: Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
Enzymatic activity of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
All present enzymatic activity of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site:
1.13.11.11;
Protein crystallography data
The structure of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site, PDB code: 6pyy
was solved by
K.N.Pham,
A.Lewis-Ballester,
S.R.Yeh,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.90 /
2.40
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
144.188,
154.037,
87.973,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.1 /
23.8
|
Other elements in 6pyy:
The structure of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
(pdb code 6pyy). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the
Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site, PDB code: 6pyy:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Fluorine binding site 1 out
of 8 in 6pyy
Go back to
Fluorine Binding Sites List in 6pyy
Fluorine binding site 1 out
of 8 in the Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F402
b:84.7
occ:1.00
|
F8
|
A:H7S402
|
0.0
|
84.7
|
1.0
|
CZ3
|
A:H7S402
|
1.3
|
67.4
|
1.0
|
CH2
|
A:H7S402
|
2.3
|
60.2
|
1.0
|
CE3
|
A:H7S402
|
2.4
|
63.5
|
1.0
|
CD2
|
B:TYR45
|
3.0
|
51.2
|
1.0
|
CB
|
A:ALA150
|
3.3
|
70.8
|
1.0
|
CD2
|
A:H7S402
|
3.6
|
66.4
|
1.0
|
CE2
|
B:TYR45
|
3.6
|
49.9
|
1.0
|
CZ2
|
A:H7S402
|
3.6
|
63.5
|
1.0
|
CG
|
B:TYR45
|
3.8
|
48.0
|
1.0
|
CD2
|
A:LEU147
|
3.9
|
64.2
|
1.0
|
CB
|
B:TYR45
|
4.0
|
41.0
|
1.0
|
C
|
A:ALA150
|
4.1
|
65.8
|
1.0
|
CE2
|
A:H7S402
|
4.1
|
66.1
|
1.0
|
O
|
A:ALA150
|
4.3
|
65.6
|
1.0
|
CA
|
A:ALA150
|
4.3
|
71.8
|
1.0
|
CA
|
B:TYR42
|
4.3
|
44.7
|
1.0
|
N
|
A:SER151
|
4.4
|
63.0
|
1.0
|
O
|
A:LEU147
|
4.5
|
61.1
|
1.0
|
CB
|
A:LEU147
|
4.6
|
64.6
|
1.0
|
CZ
|
B:TYR45
|
4.7
|
49.2
|
1.0
|
CD1
|
B:TYR42
|
4.7
|
41.3
|
1.0
|
CD2
|
B:LEU40
|
4.7
|
58.5
|
1.0
|
CG
|
A:LEU147
|
4.8
|
60.5
|
1.0
|
CD1
|
B:TYR45
|
4.8
|
50.0
|
1.0
|
CE2
|
A:PHE72
|
4.8
|
39.7
|
1.0
|
N
|
B:TYR42
|
4.9
|
46.9
|
1.0
|
CA
|
A:SER151
|
4.9
|
67.9
|
1.0
|
CA
|
A:LEU147
|
4.9
|
64.5
|
1.0
|
CG
|
A:H7S402
|
5.0
|
75.2
|
1.0
|
CB
|
B:TYR42
|
5.0
|
43.1
|
1.0
|
|
Fluorine binding site 2 out
of 8 in 6pyy
Go back to
Fluorine Binding Sites List in 6pyy
Fluorine binding site 2 out
of 8 in the Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F403
b:67.2
occ:1.00
|
F8
|
A:H7S403
|
0.0
|
67.2
|
1.0
|
CZ3
|
A:H7S403
|
1.3
|
53.0
|
1.0
|
CH2
|
A:H7S403
|
2.3
|
49.8
|
1.0
|
CE3
|
A:H7S403
|
2.3
|
48.8
|
1.0
|
O
|
A:ARG303
|
2.9
|
39.9
|
1.0
|
O
|
A:HOH518
|
3.5
|
41.9
|
1.0
|
CE1
|
A:PHE304
|
3.5
|
45.0
|
1.0
|
CD1
|
A:PHE304
|
3.5
|
44.2
|
1.0
|
CD2
|
A:H7S403
|
3.5
|
50.5
|
1.0
|
CZ2
|
A:H7S403
|
3.5
|
50.6
|
1.0
|
C
|
A:ARG303
|
3.8
|
42.2
|
1.0
|
O
|
A:HOH610
|
3.8
|
52.3
|
1.0
|
CG
|
A:PRO307
|
3.9
|
38.2
|
1.0
|
CE2
|
A:H7S403
|
4.0
|
50.3
|
1.0
|
CB
|
A:ARG303
|
4.0
|
61.4
|
1.0
|
OE2
|
A:GLU105
|
4.2
|
60.9
|
1.0
|
CD
|
A:PRO213
|
4.3
|
45.5
|
1.0
|
NE
|
A:ARG303
|
4.4
|
66.8
|
1.0
|
CG
|
A:PRO213
|
4.4
|
45.7
|
1.0
|
NH2
|
A:ARG303
|
4.5
|
61.1
|
1.0
|
CA
|
A:ARG303
|
4.5
|
50.5
|
1.0
|
N
|
A:PHE304
|
4.6
|
39.0
|
1.0
|
CZ
|
A:ARG303
|
4.6
|
63.9
|
1.0
|
CD
|
A:GLU105
|
4.6
|
59.0
|
1.0
|
CZ
|
A:PHE304
|
4.7
|
43.7
|
1.0
|
CG
|
A:PHE304
|
4.7
|
42.1
|
1.0
|
CA
|
A:PHE304
|
4.7
|
39.8
|
1.0
|
CB
|
A:PRO307
|
4.8
|
38.4
|
1.0
|
CG
|
A:ARG303
|
4.9
|
65.9
|
1.0
|
OE1
|
A:GLU105
|
5.0
|
64.8
|
1.0
|
CG
|
A:H7S403
|
5.0
|
57.4
|
1.0
|
|
Fluorine binding site 3 out
of 8 in 6pyy
Go back to
Fluorine Binding Sites List in 6pyy
Fluorine binding site 3 out
of 8 in the Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F402
b:75.5
occ:1.00
|
F8
|
B:H7S402
|
0.0
|
75.5
|
1.0
|
CZ3
|
B:H7S402
|
1.3
|
55.5
|
1.0
|
CH2
|
B:H7S402
|
2.3
|
55.6
|
1.0
|
CE3
|
B:H7S402
|
2.4
|
52.4
|
1.0
|
CD2
|
A:TYR45
|
3.3
|
44.0
|
1.0
|
CB
|
B:ALA150
|
3.3
|
58.0
|
1.0
|
CD2
|
B:H7S402
|
3.6
|
51.4
|
1.0
|
CZ2
|
B:H7S402
|
3.6
|
54.3
|
1.0
|
CG
|
A:TYR45
|
3.6
|
45.4
|
1.0
|
CB
|
A:TYR45
|
3.8
|
44.9
|
1.0
|
CE2
|
A:TYR45
|
4.0
|
42.8
|
1.0
|
CE2
|
B:H7S402
|
4.1
|
56.5
|
1.0
|
CA
|
A:TYR42
|
4.3
|
43.9
|
1.0
|
CG
|
B:LEU147
|
4.3
|
52.1
|
1.0
|
C
|
B:ALA150
|
4.3
|
54.7
|
1.0
|
CA
|
B:ALA150
|
4.5
|
57.7
|
1.0
|
N
|
B:SER151
|
4.5
|
52.3
|
1.0
|
CD1
|
A:TYR45
|
4.5
|
42.0
|
1.0
|
O
|
B:LEU147
|
4.6
|
52.9
|
1.0
|
O
|
B:ALA150
|
4.6
|
50.6
|
1.0
|
N
|
A:TYR42
|
4.7
|
47.2
|
1.0
|
CB
|
B:LEU147
|
4.7
|
51.2
|
1.0
|
CD1
|
A:TYR42
|
4.7
|
39.8
|
1.0
|
CD2
|
A:LEU40
|
4.8
|
67.3
|
1.0
|
CZ
|
A:TYR45
|
4.8
|
46.0
|
1.0
|
CD1
|
B:LEU147
|
4.9
|
53.9
|
1.0
|
CB
|
A:TYR42
|
4.9
|
41.4
|
1.0
|
CA
|
B:LEU147
|
4.9
|
50.5
|
1.0
|
CG
|
B:H7S402
|
5.0
|
58.6
|
1.0
|
O
|
A:TYR42
|
5.0
|
47.8
|
1.0
|
|
Fluorine binding site 4 out
of 8 in 6pyy
Go back to
Fluorine Binding Sites List in 6pyy
Fluorine binding site 4 out
of 8 in the Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F403
b:86.1
occ:1.00
|
F8
|
B:H7S403
|
0.0
|
86.1
|
1.0
|
CZ3
|
B:H7S403
|
1.3
|
60.7
|
1.0
|
CE3
|
B:H7S403
|
2.3
|
60.8
|
1.0
|
CH2
|
B:H7S403
|
2.4
|
51.8
|
1.0
|
O
|
B:ARG303
|
2.8
|
38.6
|
1.0
|
O
|
B:HOH517
|
3.1
|
43.2
|
1.0
|
O
|
B:HOH601
|
3.3
|
47.6
|
1.0
|
CD2
|
B:H7S403
|
3.6
|
53.1
|
1.0
|
CZ2
|
B:H7S403
|
3.6
|
48.6
|
1.0
|
C
|
B:ARG303
|
3.6
|
44.5
|
1.0
|
CD1
|
B:PHE304
|
3.8
|
47.0
|
1.0
|
OE1
|
B:GLU105
|
3.9
|
65.5
|
1.0
|
CE1
|
B:PHE304
|
3.9
|
48.0
|
1.0
|
CB
|
B:ARG303
|
3.9
|
56.8
|
1.0
|
CG
|
B:PRO307
|
4.0
|
39.6
|
1.0
|
CE2
|
B:H7S403
|
4.1
|
50.1
|
1.0
|
CA
|
B:ARG303
|
4.3
|
49.5
|
1.0
|
CD
|
B:GLU105
|
4.3
|
64.6
|
1.0
|
NE
|
B:ARG303
|
4.4
|
69.8
|
1.0
|
CG
|
B:PRO213
|
4.4
|
41.0
|
1.0
|
N
|
B:PHE304
|
4.5
|
41.2
|
1.0
|
CD
|
B:PRO213
|
4.5
|
40.8
|
1.0
|
NH2
|
B:ARG303
|
4.6
|
65.6
|
1.0
|
CZ
|
B:ARG303
|
4.7
|
65.6
|
1.0
|
CG
|
B:ARG303
|
4.7
|
73.1
|
1.0
|
OE2
|
B:GLU105
|
4.8
|
68.9
|
1.0
|
CA
|
B:PHE304
|
4.8
|
41.6
|
1.0
|
CB
|
B:PRO307
|
4.8
|
39.1
|
1.0
|
CG
|
B:PHE304
|
4.9
|
42.8
|
1.0
|
CG
|
B:H7S403
|
5.0
|
59.5
|
1.0
|
CG
|
B:GLU105
|
5.0
|
56.8
|
1.0
|
|
Fluorine binding site 5 out
of 8 in 6pyy
Go back to
Fluorine Binding Sites List in 6pyy
Fluorine binding site 5 out
of 8 in the Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F402
b:69.0
occ:1.00
|
F8
|
C:H7S402
|
0.0
|
69.0
|
1.0
|
CZ3
|
C:H7S402
|
1.3
|
62.4
|
1.0
|
CH2
|
C:H7S402
|
2.3
|
61.1
|
1.0
|
CE3
|
C:H7S402
|
2.3
|
62.6
|
1.0
|
CD2
|
D:TYR45
|
3.2
|
48.4
|
1.0
|
CB
|
C:ALA150
|
3.2
|
54.6
|
1.0
|
CD2
|
C:H7S402
|
3.6
|
71.8
|
1.0
|
CZ2
|
C:H7S402
|
3.6
|
64.1
|
1.0
|
CG
|
D:TYR45
|
3.7
|
49.0
|
1.0
|
CE2
|
D:TYR45
|
3.8
|
54.0
|
1.0
|
CB
|
D:TYR45
|
4.0
|
45.6
|
1.0
|
CE2
|
C:H7S402
|
4.1
|
70.0
|
1.0
|
C
|
C:ALA150
|
4.2
|
63.5
|
1.0
|
CA
|
D:TYR42
|
4.2
|
49.4
|
1.0
|
CA
|
C:ALA150
|
4.3
|
60.2
|
1.0
|
N
|
C:SER151
|
4.4
|
61.5
|
1.0
|
CD2
|
C:LEU147
|
4.4
|
57.6
|
1.0
|
O
|
C:ALA150
|
4.6
|
62.9
|
1.0
|
CB
|
C:LEU147
|
4.6
|
55.7
|
1.0
|
O
|
C:LEU147
|
4.7
|
54.9
|
1.0
|
CD2
|
D:TYR42
|
4.7
|
50.8
|
1.0
|
CD1
|
D:TYR45
|
4.7
|
50.3
|
1.0
|
CZ
|
D:TYR45
|
4.7
|
50.9
|
1.0
|
N
|
D:TYR42
|
4.8
|
49.5
|
1.0
|
CB
|
D:TYR42
|
4.8
|
54.6
|
1.0
|
CE2
|
C:PHE72
|
4.9
|
36.9
|
1.0
|
CG
|
C:LEU147
|
4.9
|
56.5
|
1.0
|
CG
|
C:H7S402
|
4.9
|
79.1
|
1.0
|
CD2
|
D:LEU40
|
5.0
|
72.1
|
1.0
|
O
|
D:TYR42
|
5.0
|
47.1
|
1.0
|
CA
|
C:LEU147
|
5.0
|
57.0
|
1.0
|
|
Fluorine binding site 6 out
of 8 in 6pyy
Go back to
Fluorine Binding Sites List in 6pyy
Fluorine binding site 6 out
of 8 in the Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F403
b:86.5
occ:1.00
|
F8
|
C:H7S403
|
0.0
|
86.5
|
1.0
|
CZ3
|
C:H7S403
|
1.3
|
64.7
|
1.0
|
CH2
|
C:H7S403
|
2.3
|
64.3
|
1.0
|
CE3
|
C:H7S403
|
2.4
|
62.0
|
1.0
|
O
|
C:ARG303
|
2.8
|
40.7
|
1.0
|
CD1
|
C:PHE304
|
3.3
|
52.7
|
1.0
|
CE1
|
C:PHE304
|
3.4
|
53.0
|
1.0
|
CD2
|
C:H7S403
|
3.6
|
68.0
|
1.0
|
CZ2
|
C:H7S403
|
3.6
|
62.0
|
1.0
|
C
|
C:ARG303
|
3.6
|
50.0
|
1.0
|
O
|
C:HOH577
|
3.8
|
52.1
|
1.0
|
CG
|
C:PRO307
|
3.9
|
45.4
|
1.0
|
CB
|
C:ARG303
|
4.0
|
59.8
|
1.0
|
CE2
|
C:H7S403
|
4.1
|
65.9
|
1.0
|
CA
|
C:ARG303
|
4.4
|
49.9
|
1.0
|
N
|
C:PHE304
|
4.4
|
51.0
|
1.0
|
OE2
|
C:GLU105
|
4.5
|
62.7
|
1.0
|
CA
|
C:PHE304
|
4.5
|
51.5
|
1.0
|
CG
|
C:PHE304
|
4.5
|
50.7
|
1.0
|
NE
|
C:ARG303
|
4.6
|
72.2
|
1.0
|
CB
|
C:PRO307
|
4.6
|
45.6
|
1.0
|
CD
|
C:PRO213
|
4.6
|
70.3
|
1.0
|
CZ
|
C:PHE304
|
4.6
|
52.9
|
1.0
|
CG
|
C:PRO213
|
4.7
|
74.2
|
1.0
|
NH2
|
C:ARG303
|
4.7
|
68.3
|
1.0
|
CD
|
C:GLU105
|
4.9
|
68.5
|
1.0
|
CZ
|
C:ARG303
|
4.9
|
70.2
|
1.0
|
CD
|
C:PRO307
|
4.9
|
47.9
|
1.0
|
CG
|
C:ARG303
|
5.0
|
76.5
|
1.0
|
|
Fluorine binding site 7 out
of 8 in 6pyy
Go back to
Fluorine Binding Sites List in 6pyy
Fluorine binding site 7 out
of 8 in the Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F402
b:72.8
occ:1.00
|
F8
|
D:H7S402
|
0.0
|
72.8
|
1.0
|
CZ3
|
D:H7S402
|
1.3
|
63.1
|
1.0
|
CH2
|
D:H7S402
|
2.3
|
59.2
|
1.0
|
CE3
|
D:H7S402
|
2.3
|
58.7
|
1.0
|
CD2
|
C:TYR45
|
3.2
|
38.4
|
1.0
|
CB
|
D:ALA150
|
3.4
|
44.0
|
1.0
|
CD2
|
D:H7S402
|
3.6
|
62.0
|
1.0
|
CZ2
|
D:H7S402
|
3.6
|
62.4
|
1.0
|
CG
|
C:TYR45
|
3.7
|
41.6
|
1.0
|
CE2
|
C:TYR45
|
3.8
|
41.1
|
1.0
|
CB
|
C:TYR45
|
4.0
|
42.7
|
1.0
|
CE2
|
D:H7S402
|
4.1
|
63.5
|
1.0
|
CD2
|
D:LEU147
|
4.2
|
52.1
|
1.0
|
CB
|
D:LEU147
|
4.3
|
49.9
|
1.0
|
C
|
D:ALA150
|
4.4
|
48.3
|
1.0
|
O
|
D:LEU147
|
4.4
|
53.1
|
1.0
|
CA
|
C:TYR42
|
4.4
|
44.1
|
1.0
|
CA
|
D:ALA150
|
4.5
|
48.1
|
1.0
|
CD1
|
C:TYR45
|
4.5
|
40.6
|
1.0
|
CZ
|
C:TYR45
|
4.6
|
37.6
|
1.0
|
O
|
D:ALA150
|
4.6
|
48.4
|
1.0
|
CD2
|
C:LEU40
|
4.6
|
69.2
|
1.0
|
CD1
|
C:TYR42
|
4.7
|
43.5
|
1.0
|
N
|
D:SER151
|
4.7
|
51.1
|
1.0
|
CG
|
D:LEU147
|
4.7
|
47.7
|
1.0
|
CE2
|
D:PHE72
|
4.8
|
39.3
|
1.0
|
CA
|
D:LEU147
|
4.9
|
51.4
|
1.0
|
N
|
C:TYR42
|
4.9
|
45.9
|
1.0
|
CG
|
D:H7S402
|
4.9
|
69.4
|
1.0
|
CE1
|
C:TYR45
|
4.9
|
37.2
|
1.0
|
CB
|
C:TYR42
|
4.9
|
46.1
|
1.0
|
|
Fluorine binding site 8 out
of 8 in 6pyy
Go back to
Fluorine Binding Sites List in 6pyy
Fluorine binding site 8 out
of 8 in the Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structure of Human Tryptophan 2,3-Dioxygenase in Complex with Pf-06840003 in Active Site and Exo Site within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F403
b:78.5
occ:1.00
|
F8
|
D:H7S403
|
0.0
|
78.5
|
1.0
|
CZ3
|
D:H7S403
|
1.3
|
63.6
|
1.0
|
CE3
|
D:H7S403
|
2.3
|
64.6
|
1.0
|
CH2
|
D:H7S403
|
2.4
|
58.9
|
1.0
|
O
|
D:ARG303
|
2.7
|
43.5
|
1.0
|
CD1
|
D:PHE304
|
3.6
|
47.7
|
1.0
|
C
|
D:ARG303
|
3.6
|
46.1
|
1.0
|
CD2
|
D:H7S403
|
3.6
|
67.3
|
1.0
|
CZ2
|
D:H7S403
|
3.6
|
60.8
|
1.0
|
CE1
|
D:PHE304
|
3.7
|
47.8
|
1.0
|
O
|
D:HOH588
|
3.7
|
50.8
|
1.0
|
CG
|
D:PRO307
|
3.8
|
42.1
|
1.0
|
CD
|
D:ARG303
|
3.9
|
80.8
|
1.0
|
CG
|
D:ARG303
|
4.0
|
69.6
|
1.0
|
CB
|
D:ARG303
|
4.0
|
59.5
|
1.0
|
CE2
|
D:H7S403
|
4.1
|
62.9
|
1.0
|
NH2
|
D:ARG303
|
4.1
|
91.4
|
1.0
|
CA
|
D:ARG303
|
4.3
|
50.4
|
1.0
|
N
|
D:PHE304
|
4.4
|
42.3
|
1.0
|
CG
|
D:PRO213
|
4.5
|
57.8
|
1.0
|
CA
|
D:PHE304
|
4.6
|
40.1
|
1.0
|
CG
|
D:PHE304
|
4.7
|
42.6
|
1.0
|
CB
|
D:PRO307
|
4.7
|
41.7
|
1.0
|
CD
|
D:PRO213
|
4.8
|
58.9
|
1.0
|
CZ
|
D:PHE304
|
4.9
|
42.9
|
1.0
|
CD
|
D:PRO307
|
4.9
|
40.2
|
1.0
|
NE
|
D:ARG303
|
4.9
|
80.2
|
1.0
|
|
Reference:
K.N.Pham,
A.Lewis-Ballester,
S.R.Yeh.
Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase. J.Am.Chem.Soc. V. 141 18771 2019.
ISSN: ESSN 1520-5126
PubMed: 31682426
DOI: 10.1021/JACS.9B08871
Page generated: Fri Aug 2 00:31:34 2024
|