Fluorine in PDB 6ocw: Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85:
3.4.25.1;
Protein crystallography data
The structure of Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85, PDB code: 6ocw
was solved by
H.C.Hsu,
H.Li,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
42.82 /
2.60
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
120.183,
198.647,
166.355,
90.00,
103.58,
90.00
|
R / Rfree (%)
|
18.6 /
24.1
|
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
28;
Binding sites:
The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
(pdb code 6ocw). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 28 binding sites of Fluorine where determined in the
Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85, PDB code: 6ocw:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 28 in 6ocw
Go back to
Fluorine Binding Sites List in 6ocw
Fluorine binding site 1 out
of 28 in the Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
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 Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:F301
b:24.5
occ:1.00
|
F34
|
H:M6M301
|
0.0
|
24.5
|
1.0
|
C33
|
H:M6M301
|
1.4
|
21.3
|
1.0
|
C35
|
H:M6M301
|
2.4
|
17.6
|
1.0
|
C32
|
H:M6M301
|
2.4
|
22.1
|
1.0
|
CG2
|
H:VAL53
|
3.3
|
21.5
|
1.0
|
O
|
H:ARG32
|
3.3
|
21.3
|
1.0
|
C36
|
H:M6M301
|
3.6
|
21.1
|
1.0
|
C31
|
H:M6M301
|
3.7
|
19.8
|
1.0
|
CB
|
H:ALA52
|
3.7
|
15.8
|
1.0
|
CA
|
H:LYS33
|
4.0
|
26.7
|
1.0
|
N
|
H:VAL53
|
4.0
|
23.6
|
1.0
|
O
|
H:ALA49
|
4.1
|
17.3
|
1.0
|
C30
|
H:M6M301
|
4.1
|
20.5
|
1.0
|
CG
|
H:LYS33
|
4.1
|
16.3
|
1.0
|
C
|
H:ARG32
|
4.3
|
23.3
|
1.0
|
CB
|
H:LYS33
|
4.4
|
20.9
|
1.0
|
C
|
H:ALA52
|
4.4
|
23.9
|
1.0
|
O
|
H:ILE45
|
4.4
|
22.1
|
1.0
|
CA
|
H:VAL53
|
4.5
|
25.5
|
1.0
|
CB
|
H:VAL53
|
4.5
|
25.0
|
1.0
|
CE2
|
H:TYR35
|
4.6
|
27.3
|
1.0
|
N
|
H:LYS33
|
4.6
|
22.6
|
1.0
|
CA
|
H:ALA49
|
4.6
|
20.2
|
1.0
|
CA
|
H:ALA52
|
4.7
|
22.6
|
1.0
|
F37
|
H:M6M301
|
4.7
|
35.3
|
1.0
|
OH
|
H:TYR35
|
4.8
|
41.4
|
1.0
|
C
|
H:ALA49
|
4.8
|
21.7
|
1.0
|
C
|
H:LYS33
|
5.0
|
24.6
|
1.0
|
|
Fluorine binding site 2 out
of 28 in 6ocw
Go back to
Fluorine Binding Sites List in 6ocw
Fluorine binding site 2 out
of 28 in the Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
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 Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:F301
b:35.3
occ:1.00
|
F37
|
H:M6M301
|
0.0
|
35.3
|
1.0
|
C36
|
H:M6M301
|
1.4
|
21.1
|
1.0
|
C35
|
H:M6M301
|
2.4
|
17.6
|
1.0
|
C30
|
H:M6M301
|
2.4
|
20.5
|
1.0
|
C29
|
H:M6M301
|
2.9
|
24.4
|
1.0
|
CB
|
H:ALA49
|
3.3
|
17.5
|
1.0
|
CG2
|
H:VAL31
|
3.5
|
18.5
|
1.0
|
CB
|
H:SER20
|
3.6
|
14.9
|
1.0
|
C33
|
H:M6M301
|
3.6
|
21.3
|
1.0
|
N28
|
H:M6M301
|
3.6
|
23.9
|
1.0
|
C31
|
H:M6M301
|
3.6
|
19.8
|
1.0
|
CB
|
H:VAL31
|
3.7
|
20.4
|
1.0
|
CG1
|
H:VAL31
|
3.8
|
15.2
|
1.0
|
O
|
H:ARG19
|
4.0
|
12.9
|
1.0
|
O27
|
H:M6M301
|
4.0
|
26.9
|
1.0
|
C32
|
H:M6M301
|
4.1
|
22.1
|
1.0
|
CA
|
H:ALA49
|
4.1
|
20.2
|
1.0
|
C26
|
H:M6M301
|
4.2
|
23.5
|
1.0
|
CA
|
H:SER20
|
4.2
|
18.1
|
1.0
|
OG
|
H:SER20
|
4.2
|
24.7
|
1.0
|
CE
|
H:LYS33
|
4.2
|
15.1
|
1.0
|
C16
|
H:M6M301
|
4.4
|
12.7
|
1.0
|
C
|
H:ARG19
|
4.7
|
16.4
|
1.0
|
F34
|
H:M6M301
|
4.7
|
24.5
|
1.0
|
N
|
H:SER20
|
4.8
|
17.6
|
1.0
|
N
|
H:ALA49
|
4.8
|
26.9
|
1.0
|
CG
|
H:LYS33
|
5.0
|
16.3
|
1.0
|
|
Fluorine binding site 3 out
of 28 in 6ocw
Go back to
Fluorine Binding Sites List in 6ocw
Fluorine binding site 3 out
of 28 in the Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
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 Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:F301
b:27.4
occ:1.00
|
F34
|
I:M6M301
|
0.0
|
27.4
|
1.0
|
C33
|
I:M6M301
|
1.4
|
18.5
|
1.0
|
C35
|
I:M6M301
|
2.4
|
15.8
|
1.0
|
C32
|
I:M6M301
|
2.4
|
20.5
|
1.0
|
CB
|
I:ALA52
|
3.4
|
11.9
|
1.0
|
CG2
|
I:VAL53
|
3.5
|
17.6
|
1.0
|
O
|
I:ARG32
|
3.6
|
22.6
|
1.0
|
C36
|
I:M6M301
|
3.6
|
19.0
|
1.0
|
C31
|
I:M6M301
|
3.7
|
19.0
|
1.0
|
CA
|
I:LYS33
|
3.9
|
20.1
|
1.0
|
N
|
I:VAL53
|
4.0
|
16.1
|
1.0
|
CB
|
I:LYS33
|
4.1
|
15.9
|
1.0
|
O
|
I:ALA49
|
4.1
|
17.1
|
1.0
|
C30
|
I:M6M301
|
4.1
|
20.2
|
1.0
|
CG
|
I:LYS33
|
4.2
|
20.0
|
1.0
|
O
|
I:ILE45
|
4.3
|
21.3
|
1.0
|
C
|
I:ARG32
|
4.4
|
26.3
|
1.0
|
C
|
I:ALA52
|
4.4
|
19.1
|
1.0
|
CA
|
I:ALA52
|
4.5
|
17.6
|
1.0
|
CA
|
I:VAL53
|
4.5
|
19.9
|
1.0
|
N
|
I:LYS33
|
4.5
|
20.5
|
1.0
|
CA
|
I:ALA49
|
4.6
|
14.9
|
1.0
|
CB
|
I:VAL53
|
4.6
|
14.2
|
1.0
|
CG1
|
I:VAL31
|
4.7
|
22.2
|
1.0
|
CE2
|
I:TYR35
|
4.7
|
28.4
|
1.0
|
F37
|
I:M6M301
|
4.7
|
19.6
|
1.0
|
C
|
I:ALA49
|
4.8
|
16.8
|
1.0
|
C
|
I:LYS33
|
4.9
|
23.4
|
1.0
|
|
Fluorine binding site 4 out
of 28 in 6ocw
Go back to
Fluorine Binding Sites List in 6ocw
Fluorine binding site 4 out
of 28 in the Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
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 Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:F301
b:19.6
occ:1.00
|
F37
|
I:M6M301
|
0.0
|
19.6
|
1.0
|
C36
|
I:M6M301
|
1.3
|
19.0
|
1.0
|
C30
|
I:M6M301
|
2.3
|
20.2
|
1.0
|
C35
|
I:M6M301
|
2.4
|
15.8
|
1.0
|
C29
|
I:M6M301
|
2.8
|
19.7
|
1.0
|
CB
|
I:ALA49
|
3.2
|
13.6
|
1.0
|
CG1
|
I:VAL31
|
3.4
|
22.2
|
1.0
|
N28
|
I:M6M301
|
3.5
|
18.3
|
1.0
|
OG
|
I:SER20
|
3.5
|
25.0
|
1.0
|
C31
|
I:M6M301
|
3.6
|
19.0
|
1.0
|
C33
|
I:M6M301
|
3.6
|
18.5
|
1.0
|
CB
|
I:SER20
|
3.7
|
19.7
|
1.0
|
O27
|
I:M6M301
|
3.9
|
20.8
|
1.0
|
C26
|
I:M6M301
|
4.0
|
19.3
|
1.0
|
CA
|
I:ALA49
|
4.1
|
14.9
|
1.0
|
C32
|
I:M6M301
|
4.1
|
20.5
|
1.0
|
CA
|
I:SER20
|
4.1
|
15.8
|
1.0
|
O
|
I:ARG19
|
4.1
|
19.9
|
1.0
|
CB
|
I:VAL31
|
4.2
|
23.9
|
1.0
|
CG2
|
I:VAL31
|
4.2
|
20.3
|
1.0
|
CE
|
I:LYS33
|
4.4
|
14.7
|
1.0
|
F34
|
I:M6M301
|
4.7
|
27.4
|
1.0
|
N
|
I:SER20
|
4.8
|
17.6
|
1.0
|
C
|
I:ARG19
|
4.8
|
19.2
|
1.0
|
N
|
I:ALA49
|
4.8
|
19.1
|
1.0
|
C16
|
I:M6M301
|
4.9
|
17.5
|
1.0
|
C07
|
I:M6M301
|
5.0
|
19.8
|
1.0
|
|
Fluorine binding site 5 out
of 28 in 6ocw
Go back to
Fluorine Binding Sites List in 6ocw
Fluorine binding site 5 out
of 28 in the Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
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 Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:F301
b:23.6
occ:1.00
|
F34
|
J:M6M301
|
0.0
|
23.6
|
1.0
|
C33
|
J:M6M301
|
1.4
|
21.1
|
1.0
|
C35
|
J:M6M301
|
2.4
|
21.9
|
1.0
|
C32
|
J:M6M301
|
2.4
|
18.0
|
1.0
|
CG2
|
J:VAL53
|
3.3
|
12.0
|
1.0
|
CB
|
J:ALA52
|
3.3
|
16.1
|
1.0
|
O
|
J:ARG32
|
3.6
|
22.8
|
1.0
|
C36
|
J:M6M301
|
3.6
|
23.0
|
1.0
|
C31
|
J:M6M301
|
3.7
|
20.0
|
1.0
|
N
|
J:VAL53
|
4.0
|
16.8
|
1.0
|
O
|
J:ALA49
|
4.1
|
13.8
|
1.0
|
CA
|
J:LYS33
|
4.1
|
23.1
|
1.0
|
CG
|
J:LYS33
|
4.1
|
21.9
|
1.0
|
C30
|
J:M6M301
|
4.1
|
23.7
|
1.0
|
CB
|
J:LYS33
|
4.3
|
20.3
|
1.0
|
C
|
J:ALA52
|
4.4
|
17.6
|
1.0
|
C
|
J:ARG32
|
4.5
|
22.9
|
1.0
|
CA
|
J:ALA52
|
4.5
|
18.0
|
1.0
|
CA
|
J:VAL53
|
4.5
|
18.8
|
1.0
|
CB
|
J:VAL53
|
4.5
|
21.7
|
1.0
|
O
|
J:ILE45
|
4.6
|
20.5
|
1.0
|
CA
|
J:ALA49
|
4.7
|
16.2
|
1.0
|
N
|
J:LYS33
|
4.7
|
21.2
|
1.0
|
F37
|
J:M6M301
|
4.7
|
30.2
|
1.0
|
C
|
J:ALA49
|
4.8
|
14.4
|
1.0
|
CE2
|
J:TYR35
|
4.9
|
24.2
|
1.0
|
|
Fluorine binding site 6 out
of 28 in 6ocw
Go back to
Fluorine Binding Sites List in 6ocw
Fluorine binding site 6 out
of 28 in the Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
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 Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:F301
b:30.2
occ:1.00
|
F37
|
J:M6M301
|
0.0
|
30.2
|
1.0
|
C36
|
J:M6M301
|
1.4
|
23.0
|
1.0
|
C35
|
J:M6M301
|
2.4
|
21.9
|
1.0
|
C30
|
J:M6M301
|
2.4
|
23.7
|
1.0
|
C29
|
J:M6M301
|
2.8
|
20.7
|
1.0
|
CB
|
J:SER20
|
3.4
|
20.4
|
1.0
|
CG2
|
J:VAL31
|
3.4
|
18.4
|
1.0
|
N28
|
J:M6M301
|
3.5
|
19.8
|
1.0
|
C33
|
J:M6M301
|
3.6
|
21.1
|
1.0
|
C31
|
J:M6M301
|
3.6
|
20.0
|
1.0
|
CB
|
J:ALA49
|
3.6
|
17.8
|
1.0
|
OG
|
J:SER20
|
3.7
|
25.8
|
1.0
|
CG1
|
J:VAL31
|
3.8
|
19.2
|
1.0
|
CB
|
J:VAL31
|
3.8
|
20.9
|
1.0
|
CA
|
J:SER20
|
3.9
|
19.6
|
1.0
|
O
|
J:ARG19
|
4.0
|
21.1
|
1.0
|
O27
|
J:M6M301
|
4.0
|
21.4
|
1.0
|
C26
|
J:M6M301
|
4.1
|
20.9
|
1.0
|
C32
|
J:M6M301
|
4.1
|
18.0
|
1.0
|
CE
|
J:LYS33
|
4.3
|
19.9
|
1.0
|
CA
|
J:ALA49
|
4.3
|
16.2
|
1.0
|
N
|
J:SER20
|
4.6
|
24.5
|
1.0
|
C
|
J:ARG19
|
4.6
|
27.3
|
1.0
|
C16
|
J:M6M301
|
4.7
|
18.4
|
1.0
|
F34
|
J:M6M301
|
4.7
|
23.6
|
1.0
|
NZ
|
J:LYS33
|
4.9
|
16.6
|
1.0
|
|
Fluorine binding site 7 out
of 28 in 6ocw
Go back to
Fluorine Binding Sites List in 6ocw
Fluorine binding site 7 out
of 28 in the Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
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 Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:F301
b:21.2
occ:1.00
|
F34
|
K:M6M301
|
0.0
|
21.2
|
1.0
|
C33
|
K:M6M301
|
1.4
|
18.7
|
1.0
|
C35
|
K:M6M301
|
2.3
|
21.5
|
1.0
|
C32
|
K:M6M301
|
2.4
|
19.7
|
1.0
|
O
|
K:ARG32
|
3.2
|
15.8
|
1.0
|
CG2
|
K:VAL53
|
3.4
|
18.1
|
1.0
|
C36
|
K:M6M301
|
3.6
|
24.4
|
1.0
|
C31
|
K:M6M301
|
3.7
|
20.8
|
1.0
|
CB
|
K:ALA52
|
3.8
|
19.2
|
1.0
|
CG
|
K:LYS33
|
4.0
|
20.9
|
1.0
|
CA
|
K:LYS33
|
4.1
|
19.3
|
1.0
|
C
|
K:ARG32
|
4.1
|
17.8
|
1.0
|
C30
|
K:M6M301
|
4.1
|
24.4
|
1.0
|
O
|
K:ALA49
|
4.1
|
21.6
|
1.0
|
N
|
K:VAL53
|
4.2
|
18.0
|
1.0
|
CB
|
K:LYS33
|
4.4
|
17.9
|
1.0
|
N
|
K:LYS33
|
4.6
|
18.4
|
1.0
|
CA
|
K:ALA49
|
4.6
|
17.0
|
1.0
|
CB
|
K:VAL53
|
4.7
|
18.6
|
1.0
|
F37
|
K:M6M301
|
4.7
|
31.5
|
1.0
|
CA
|
K:VAL53
|
4.7
|
20.6
|
1.0
|
O
|
K:ILE45
|
4.7
|
18.1
|
1.0
|
C
|
K:ALA52
|
4.8
|
18.7
|
1.0
|
C
|
K:ALA49
|
4.8
|
15.8
|
1.0
|
CA
|
K:ALA52
|
4.9
|
18.7
|
1.0
|
CB
|
K:ALA49
|
4.9
|
19.9
|
1.0
|
OH
|
K:TYR35
|
4.9
|
21.8
|
1.0
|
CE1
|
K:TYR35
|
4.9
|
19.8
|
1.0
|
|
Fluorine binding site 8 out
of 28 in 6ocw
Go back to
Fluorine Binding Sites List in 6ocw
Fluorine binding site 8 out
of 28 in the Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
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 Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:F301
b:31.5
occ:1.00
|
F37
|
K:M6M301
|
0.0
|
31.5
|
1.0
|
C36
|
K:M6M301
|
1.4
|
24.4
|
1.0
|
C35
|
K:M6M301
|
2.4
|
21.5
|
1.0
|
C30
|
K:M6M301
|
2.4
|
24.4
|
1.0
|
C29
|
K:M6M301
|
2.9
|
18.9
|
1.0
|
N28
|
K:M6M301
|
3.5
|
20.6
|
1.0
|
CB
|
K:ALA49
|
3.5
|
19.9
|
1.0
|
CB
|
K:SER20
|
3.6
|
17.8
|
1.0
|
CG2
|
K:VAL31
|
3.6
|
20.8
|
1.0
|
OG
|
K:SER20
|
3.6
|
25.2
|
1.0
|
C33
|
K:M6M301
|
3.6
|
18.7
|
1.0
|
C31
|
K:M6M301
|
3.6
|
20.8
|
1.0
|
O27
|
K:M6M301
|
3.7
|
27.2
|
1.0
|
C26
|
K:M6M301
|
3.9
|
23.3
|
1.0
|
O
|
K:ARG19
|
3.9
|
21.2
|
1.0
|
CG1
|
K:VAL31
|
3.9
|
22.2
|
1.0
|
CA
|
K:SER20
|
3.9
|
20.0
|
1.0
|
CB
|
K:VAL31
|
4.0
|
22.2
|
1.0
|
C32
|
K:M6M301
|
4.1
|
19.7
|
1.0
|
CE
|
K:LYS33
|
4.3
|
22.6
|
1.0
|
CA
|
K:ALA49
|
4.3
|
17.0
|
1.0
|
C
|
K:ARG19
|
4.6
|
19.6
|
1.0
|
N
|
K:SER20
|
4.6
|
20.5
|
1.0
|
F34
|
K:M6M301
|
4.7
|
21.2
|
1.0
|
C16
|
K:M6M301
|
4.7
|
14.3
|
1.0
|
NZ
|
K:LYS33
|
4.7
|
18.8
|
1.0
|
N
|
K:ALA49
|
4.9
|
18.8
|
1.0
|
C07
|
K:M6M301
|
4.9
|
21.7
|
1.0
|
|
Fluorine binding site 9 out
of 28 in 6ocw
Go back to
Fluorine Binding Sites List in 6ocw
Fluorine binding site 9 out
of 28 in the Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:F301
b:18.4
occ:1.00
|
F34
|
L:M6M301
|
0.0
|
18.4
|
1.0
|
C33
|
L:M6M301
|
1.4
|
13.1
|
1.0
|
C35
|
L:M6M301
|
2.4
|
12.2
|
1.0
|
C32
|
L:M6M301
|
2.4
|
15.5
|
1.0
|
CG2
|
L:VAL53
|
3.2
|
11.4
|
1.0
|
O
|
L:ARG32
|
3.5
|
14.4
|
1.0
|
C36
|
L:M6M301
|
3.6
|
18.1
|
1.0
|
C31
|
L:M6M301
|
3.7
|
17.6
|
1.0
|
CB
|
L:ALA52
|
3.7
|
14.3
|
1.0
|
O
|
L:ALA49
|
3.9
|
15.6
|
1.0
|
N
|
L:VAL53
|
3.9
|
16.8
|
1.0
|
CA
|
L:LYS33
|
4.0
|
12.6
|
1.0
|
CG
|
L:LYS33
|
4.1
|
16.3
|
1.0
|
C30
|
L:M6M301
|
4.1
|
21.2
|
1.0
|
CB
|
L:LYS33
|
4.3
|
13.6
|
1.0
|
C
|
L:ARG32
|
4.3
|
17.8
|
1.0
|
CA
|
L:VAL53
|
4.4
|
16.3
|
1.0
|
CB
|
L:VAL53
|
4.4
|
16.9
|
1.0
|
C
|
L:ALA52
|
4.4
|
20.2
|
1.0
|
O
|
L:ILE45
|
4.5
|
18.4
|
1.0
|
CA
|
L:ALA49
|
4.6
|
17.9
|
1.0
|
N
|
L:LYS33
|
4.6
|
14.4
|
1.0
|
C
|
L:ALA49
|
4.7
|
17.6
|
1.0
|
CA
|
L:ALA52
|
4.7
|
18.5
|
1.0
|
CG1
|
L:VAL31
|
4.7
|
22.1
|
1.0
|
F37
|
L:M6M301
|
4.8
|
25.6
|
1.0
|
CE2
|
L:TYR35
|
4.8
|
18.6
|
1.0
|
OH
|
L:TYR35
|
4.9
|
28.3
|
1.0
|
|
Fluorine binding site 10 out
of 28 in 6ocw
Go back to
Fluorine Binding Sites List in 6ocw
Fluorine binding site 10 out
of 28 in the Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:F301
b:25.6
occ:1.00
|
F37
|
L:M6M301
|
0.0
|
25.6
|
1.0
|
C36
|
L:M6M301
|
1.4
|
18.1
|
1.0
|
C30
|
L:M6M301
|
2.4
|
21.2
|
1.0
|
C35
|
L:M6M301
|
2.4
|
12.2
|
1.0
|
C29
|
L:M6M301
|
2.8
|
16.8
|
1.0
|
CB
|
L:ALA49
|
3.0
|
13.1
|
1.0
|
N28
|
L:M6M301
|
3.3
|
19.5
|
1.0
|
CG1
|
L:VAL31
|
3.6
|
22.1
|
1.0
|
C31
|
L:M6M301
|
3.6
|
17.6
|
1.0
|
C33
|
L:M6M301
|
3.6
|
13.1
|
1.0
|
OG
|
L:SER20
|
3.7
|
18.8
|
1.0
|
CB
|
L:SER20
|
3.7
|
15.9
|
1.0
|
CG2
|
L:VAL31
|
3.8
|
20.4
|
1.0
|
CA
|
L:ALA49
|
3.9
|
17.9
|
1.0
|
C26
|
L:M6M301
|
4.0
|
19.5
|
1.0
|
O27
|
L:M6M301
|
4.0
|
17.8
|
1.0
|
C32
|
L:M6M301
|
4.1
|
15.5
|
1.0
|
CA
|
L:SER20
|
4.2
|
18.0
|
1.0
|
CB
|
L:VAL31
|
4.2
|
16.4
|
1.0
|
O
|
L:ARG19
|
4.2
|
15.5
|
1.0
|
C16
|
L:M6M301
|
4.3
|
16.4
|
1.0
|
CE
|
L:LYS33
|
4.5
|
16.7
|
1.0
|
N
|
L:ALA49
|
4.6
|
19.7
|
1.0
|
F34
|
L:M6M301
|
4.8
|
18.4
|
1.0
|
C
|
L:ARG19
|
4.9
|
18.8
|
1.0
|
N
|
L:SER20
|
4.9
|
17.4
|
1.0
|
C07
|
L:M6M301
|
4.9
|
19.8
|
1.0
|
O05
|
L:M6M301
|
5.0
|
20.4
|
1.0
|
|
Reference:
W.Zhan,
H.C.Hsu,
T.Morgan,
T.Ouellette,
K.Burns-Huang,
R.Hara,
A.G.Wright,
T.Imaeda,
R.Okamoto,
K.Sato,
M.Michino,
M.Ramjee,
K.Aso,
P.T.Meinke,
M.Foley,
C.F.Nathan,
H.Li,
G.Lin.
Selective Phenylimidazole-Based Inhibitors of Themycobacterium Tuberculosisproteasome. J.Med.Chem. V. 62 9246 2019.
ISSN: ISSN 0022-2623
PubMed: 31560200
DOI: 10.1021/ACS.JMEDCHEM.9B01187
Page generated: Thu Aug 1 23:33:33 2024
|