Fluorine in PDB 4rpl: Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
Enzymatic activity of Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
All present enzymatic activity of Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp:
5.4.99.9;
Protein crystallography data
The structure of Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp, PDB code: 4rpl
was solved by
K.E.Van Straaten,
D.A.R.Sanders,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.62 /
2.25
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
171.290,
98.290,
100.520,
90.00,
109.94,
90.00
|
R / Rfree (%)
|
21.8 /
26
|
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Fluorine atom in the Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
(pdb code 4rpl). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp, PDB code: 4rpl:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 4rpl
Go back to
Fluorine Binding Sites List in 4rpl
Fluorine binding site 1 out
of 12 in the Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
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 Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F402
b:50.0
occ:0.53
|
F2''
|
B:3UC402
|
0.0
|
50.0
|
0.5
|
C2'
|
B:3UC402
|
1.4
|
49.9
|
0.4
|
F2'
|
B:3UC402
|
2.1
|
46.5
|
1.0
|
C3'
|
B:3UC402
|
2.1
|
46.5
|
0.6
|
O4'
|
B:3UC402
|
2.1
|
44.0
|
0.8
|
O4
|
B:FAD401
|
2.3
|
36.7
|
0.7
|
F3''
|
B:3UC402
|
2.6
|
44.3
|
0.6
|
C4'
|
B:3UC402
|
2.6
|
46.7
|
0.9
|
C1'
|
B:3UC402
|
2.6
|
46.4
|
0.8
|
N5
|
B:FAD401
|
2.8
|
45.7
|
0.7
|
C4
|
B:FAD401
|
3.0
|
45.2
|
0.7
|
O
|
B:ALA64
|
3.2
|
38.8
|
1.0
|
O5'
|
B:3UC402
|
3.2
|
50.0
|
0.4
|
C4X
|
B:FAD401
|
3.3
|
47.3
|
0.7
|
C5'
|
B:3UC402
|
3.4
|
49.2
|
0.7
|
F3'
|
B:3UC402
|
3.5
|
48.4
|
0.7
|
O3B
|
B:3UC402
|
3.7
|
56.4
|
1.0
|
C5X
|
B:FAD401
|
3.8
|
47.6
|
0.7
|
C6
|
B:FAD401
|
4.2
|
51.6
|
0.7
|
N3
|
B:FAD401
|
4.3
|
42.3
|
0.7
|
C6'
|
B:3UC402
|
4.3
|
47.6
|
0.7
|
C
|
B:ALA64
|
4.3
|
41.5
|
1.0
|
C10
|
B:FAD401
|
4.6
|
44.9
|
0.7
|
N
|
B:LEU66
|
4.7
|
33.6
|
1.0
|
PB
|
B:3UC402
|
4.8
|
55.8
|
1.0
|
CD2
|
B:LEU66
|
4.8
|
34.9
|
1.0
|
CA
|
B:HIS65
|
4.8
|
33.1
|
1.0
|
NH2
|
B:ARG292
|
4.8
|
43.1
|
1.0
|
O
|
B:HOH551
|
4.9
|
48.6
|
1.0
|
O1B
|
B:3UC402
|
4.9
|
52.7
|
1.0
|
C9A
|
B:FAD401
|
5.0
|
50.1
|
0.7
|
|
Fluorine binding site 2 out
of 12 in 4rpl
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Fluorine Binding Sites List in 4rpl
Fluorine binding site 2 out
of 12 in the Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
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 Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F402
b:46.5
occ:1.00
|
F2'
|
B:3UC402
|
0.0
|
46.5
|
1.0
|
C2'
|
B:3UC402
|
1.4
|
49.9
|
0.4
|
F2''
|
B:3UC402
|
2.1
|
50.0
|
0.5
|
C3'
|
B:3UC402
|
2.4
|
46.5
|
0.6
|
C1'
|
B:3UC402
|
2.4
|
46.4
|
0.8
|
F3''
|
B:3UC402
|
2.7
|
44.3
|
0.6
|
O3B
|
B:3UC402
|
2.7
|
56.4
|
1.0
|
F3'
|
B:3UC402
|
2.9
|
48.4
|
0.7
|
N5
|
B:FAD401
|
3.3
|
45.7
|
0.7
|
O
|
B:HOH551
|
3.3
|
48.6
|
1.0
|
O2B
|
B:3UC402
|
3.4
|
44.9
|
1.0
|
O4
|
B:FAD401
|
3.4
|
36.7
|
0.7
|
C4X
|
B:FAD401
|
3.4
|
47.3
|
0.7
|
C4
|
B:FAD401
|
3.5
|
45.2
|
0.7
|
PB
|
B:3UC402
|
3.5
|
55.8
|
1.0
|
NH2
|
B:ARG180
|
3.6
|
46.0
|
1.0
|
C4'
|
B:3UC402
|
3.6
|
46.7
|
0.9
|
O5'
|
B:3UC402
|
3.7
|
50.0
|
0.4
|
O4'
|
B:3UC402
|
3.9
|
44.0
|
0.8
|
C5X
|
B:FAD401
|
4.0
|
47.6
|
0.7
|
O1B
|
B:3UC402
|
4.1
|
52.7
|
1.0
|
C5'
|
B:3UC402
|
4.2
|
49.2
|
0.7
|
C10
|
B:FAD401
|
4.3
|
44.9
|
0.7
|
OD1
|
B:ASP368
|
4.3
|
55.0
|
1.0
|
N3
|
B:FAD401
|
4.4
|
42.3
|
0.7
|
C6
|
B:FAD401
|
4.5
|
51.6
|
0.7
|
C9A
|
B:FAD401
|
4.7
|
50.1
|
0.7
|
O1A
|
B:3UC402
|
4.8
|
44.2
|
1.0
|
N10
|
B:FAD401
|
4.9
|
47.1
|
0.7
|
O3A
|
B:3UC402
|
4.9
|
55.8
|
1.0
|
O
|
B:HOH596
|
4.9
|
45.6
|
1.0
|
CZ
|
B:ARG180
|
4.9
|
46.6
|
1.0
|
OH
|
B:TYR328
|
4.9
|
51.4
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 4rpl
Go back to
Fluorine Binding Sites List in 4rpl
Fluorine binding site 3 out
of 12 in the Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
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 Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F402
b:44.3
occ:0.64
|
F3''
|
B:3UC402
|
0.0
|
44.3
|
0.6
|
C3'
|
B:3UC402
|
1.1
|
46.5
|
0.6
|
F3'
|
B:3UC402
|
1.9
|
48.4
|
0.7
|
C4'
|
B:3UC402
|
2.1
|
46.7
|
0.9
|
C2'
|
B:3UC402
|
2.3
|
49.9
|
0.4
|
F2''
|
B:3UC402
|
2.6
|
50.0
|
0.5
|
F2'
|
B:3UC402
|
2.7
|
46.5
|
1.0
|
O4
|
B:FAD401
|
2.9
|
36.7
|
0.7
|
O4'
|
B:3UC402
|
2.9
|
44.0
|
0.8
|
CZ
|
B:PHE192
|
3.3
|
33.5
|
1.0
|
C5'
|
B:3UC402
|
3.4
|
49.2
|
0.7
|
C1'
|
B:3UC402
|
3.5
|
46.4
|
0.8
|
C4
|
B:FAD401
|
3.5
|
45.2
|
0.7
|
CE1
|
B:PHE192
|
3.7
|
32.9
|
1.0
|
O3B
|
B:3UC402
|
3.9
|
56.4
|
1.0
|
O5'
|
B:3UC402
|
3.9
|
50.0
|
0.4
|
N3
|
B:FAD401
|
4.0
|
42.3
|
0.7
|
O
|
B:HOH596
|
4.2
|
45.6
|
1.0
|
C4X
|
B:FAD401
|
4.4
|
47.3
|
0.7
|
CE2
|
B:PHE192
|
4.5
|
32.6
|
1.0
|
C6'
|
B:3UC402
|
4.5
|
47.6
|
0.7
|
CB
|
B:LEU66
|
4.6
|
33.0
|
1.0
|
N5
|
B:FAD401
|
4.7
|
45.7
|
0.7
|
NE2
|
B:HIS68
|
4.7
|
32.4
|
1.0
|
CD2
|
B:LEU66
|
4.7
|
34.9
|
1.0
|
O
|
B:LEU66
|
4.7
|
37.8
|
1.0
|
NH2
|
B:ARG180
|
4.9
|
46.0
|
1.0
|
N
|
B:LEU66
|
4.9
|
33.6
|
1.0
|
|
Fluorine binding site 4 out
of 12 in 4rpl
Go back to
Fluorine Binding Sites List in 4rpl
Fluorine binding site 4 out
of 12 in the Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
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 Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F402
b:48.4
occ:0.71
|
F3'
|
B:3UC402
|
0.0
|
48.4
|
0.7
|
C3'
|
B:3UC402
|
1.5
|
46.5
|
0.6
|
F3''
|
B:3UC402
|
1.9
|
44.3
|
0.6
|
C2'
|
B:3UC402
|
2.4
|
49.9
|
0.4
|
C4'
|
B:3UC402
|
2.4
|
46.7
|
0.9
|
O3B
|
B:3UC402
|
2.7
|
56.4
|
1.0
|
C5'
|
B:3UC402
|
2.8
|
49.2
|
0.7
|
C1'
|
B:3UC402
|
2.9
|
46.4
|
0.8
|
F2'
|
B:3UC402
|
2.9
|
46.5
|
1.0
|
O
|
B:HOH596
|
3.0
|
45.6
|
1.0
|
O5'
|
B:3UC402
|
3.2
|
50.0
|
0.4
|
F2''
|
B:3UC402
|
3.5
|
50.0
|
0.5
|
O1A
|
B:3UC402
|
3.6
|
44.2
|
1.0
|
O4'
|
B:3UC402
|
3.7
|
44.0
|
0.8
|
O2A
|
B:3UC402
|
3.7
|
49.0
|
1.0
|
CE2
|
B:TYR191
|
3.8
|
38.1
|
1.0
|
CE1
|
B:PHE192
|
3.8
|
32.9
|
1.0
|
CZ
|
B:PHE192
|
3.9
|
33.5
|
1.0
|
PB
|
B:3UC402
|
4.0
|
55.8
|
1.0
|
NH2
|
B:ARG180
|
4.1
|
46.0
|
1.0
|
PA
|
B:3UC402
|
4.1
|
47.8
|
1.0
|
C6'
|
B:3UC402
|
4.2
|
47.6
|
0.7
|
CD2
|
B:TYR191
|
4.4
|
37.6
|
1.0
|
O2B
|
B:3UC402
|
4.5
|
44.9
|
1.0
|
O4
|
B:FAD401
|
4.6
|
36.7
|
0.7
|
O3A
|
B:3UC402
|
4.6
|
55.8
|
1.0
|
O6'
|
B:3UC402
|
4.7
|
31.1
|
1.0
|
CZ
|
B:TYR191
|
4.8
|
39.2
|
1.0
|
OH
|
B:TYR191
|
4.9
|
43.6
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 4rpl
Go back to
Fluorine Binding Sites List in 4rpl
Fluorine binding site 5 out
of 12 in the Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
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 Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F402
b:54.7
occ:0.69
|
F2''
|
A:3UC402
|
0.0
|
54.7
|
0.7
|
C2'
|
A:3UC402
|
1.4
|
57.0
|
0.6
|
F2'
|
A:3UC402
|
2.1
|
51.2
|
1.0
|
C3'
|
A:3UC402
|
2.1
|
52.9
|
0.8
|
O4'
|
A:3UC402
|
2.1
|
51.2
|
0.8
|
O4
|
A:FAD401
|
2.2
|
41.7
|
0.7
|
F3''
|
A:3UC402
|
2.6
|
52.2
|
0.9
|
C4'
|
A:3UC402
|
2.6
|
53.4
|
0.7
|
C1'
|
A:3UC402
|
2.6
|
56.2
|
0.5
|
N5
|
A:FAD401
|
2.9
|
50.0
|
0.7
|
C4
|
A:FAD401
|
3.0
|
49.6
|
0.7
|
O5'
|
A:3UC402
|
3.3
|
56.3
|
0.3
|
C4X
|
A:FAD401
|
3.3
|
51.8
|
0.7
|
O
|
A:ALA64
|
3.4
|
43.4
|
1.0
|
C5'
|
A:3UC402
|
3.5
|
52.3
|
0.7
|
F3'
|
A:3UC402
|
3.5
|
54.0
|
0.8
|
O3B
|
A:3UC402
|
3.7
|
62.3
|
1.0
|
C5X
|
A:FAD401
|
4.0
|
54.3
|
0.7
|
N3
|
A:FAD401
|
4.2
|
49.4
|
0.7
|
C6
|
A:FAD401
|
4.3
|
55.4
|
0.7
|
C6'
|
A:3UC402
|
4.3
|
49.8
|
0.5
|
O
|
A:HOH630
|
4.4
|
48.5
|
1.0
|
C
|
A:ALA64
|
4.5
|
44.8
|
1.0
|
C10
|
A:FAD401
|
4.6
|
50.0
|
0.7
|
PB
|
A:3UC402
|
4.7
|
64.8
|
1.0
|
NH2
|
A:ARG292
|
4.8
|
40.4
|
1.0
|
O1B
|
A:3UC402
|
4.8
|
58.8
|
1.0
|
CD2
|
A:LEU66
|
4.8
|
37.0
|
1.0
|
N
|
A:LEU66
|
4.8
|
41.3
|
1.0
|
CA
|
A:HIS65
|
4.8
|
40.1
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 4rpl
Go back to
Fluorine Binding Sites List in 4rpl
Fluorine binding site 6 out
of 12 in the Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
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 Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F402
b:51.2
occ:1.00
|
F2'
|
A:3UC402
|
0.0
|
51.2
|
1.0
|
C2'
|
A:3UC402
|
1.4
|
57.0
|
0.6
|
F2''
|
A:3UC402
|
2.1
|
54.7
|
0.7
|
C3'
|
A:3UC402
|
2.4
|
52.9
|
0.8
|
C1'
|
A:3UC402
|
2.4
|
56.2
|
0.5
|
O3B
|
A:3UC402
|
2.7
|
62.3
|
1.0
|
F3''
|
A:3UC402
|
2.7
|
52.2
|
0.9
|
F3'
|
A:3UC402
|
2.9
|
54.0
|
0.8
|
O4
|
A:FAD401
|
3.2
|
41.7
|
0.7
|
N5
|
A:FAD401
|
3.3
|
50.0
|
0.7
|
O2B
|
A:3UC402
|
3.4
|
58.9
|
1.0
|
C4
|
A:FAD401
|
3.4
|
49.6
|
0.7
|
C4X
|
A:FAD401
|
3.4
|
51.8
|
0.7
|
PB
|
A:3UC402
|
3.5
|
64.8
|
1.0
|
C4'
|
A:3UC402
|
3.6
|
53.4
|
0.7
|
NH2
|
A:ARG180
|
3.7
|
60.1
|
1.0
|
O5'
|
A:3UC402
|
3.7
|
56.3
|
0.3
|
O
|
A:HOH650
|
3.7
|
57.5
|
1.0
|
O4'
|
A:3UC402
|
3.9
|
51.2
|
0.8
|
O1B
|
A:3UC402
|
4.1
|
58.8
|
1.0
|
C5X
|
A:FAD401
|
4.1
|
54.3
|
0.7
|
OD1
|
A:ASP368
|
4.2
|
61.2
|
1.0
|
C5'
|
A:3UC402
|
4.2
|
52.3
|
0.7
|
N3
|
A:FAD401
|
4.3
|
49.4
|
0.7
|
C10
|
A:FAD401
|
4.3
|
50.0
|
0.7
|
C6
|
A:FAD401
|
4.6
|
55.4
|
0.7
|
O1A
|
A:3UC402
|
4.8
|
62.8
|
1.0
|
O3A
|
A:3UC402
|
4.8
|
61.0
|
1.0
|
C9A
|
A:FAD401
|
4.8
|
53.6
|
0.7
|
CZ
|
A:ARG180
|
4.9
|
63.5
|
1.0
|
N10
|
A:FAD401
|
4.9
|
50.8
|
0.7
|
|
Fluorine binding site 7 out
of 12 in 4rpl
Go back to
Fluorine Binding Sites List in 4rpl
Fluorine binding site 7 out
of 12 in the Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
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 Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F402
b:52.2
occ:0.87
|
F3''
|
A:3UC402
|
0.0
|
52.2
|
0.9
|
C3'
|
A:3UC402
|
1.1
|
52.9
|
0.8
|
F3'
|
A:3UC402
|
1.9
|
54.0
|
0.8
|
C4'
|
A:3UC402
|
2.1
|
53.4
|
0.7
|
C2'
|
A:3UC402
|
2.3
|
57.0
|
0.6
|
F2''
|
A:3UC402
|
2.6
|
54.7
|
0.7
|
O4
|
A:FAD401
|
2.7
|
41.7
|
0.7
|
F2'
|
A:3UC402
|
2.7
|
51.2
|
1.0
|
O4'
|
A:3UC402
|
2.9
|
51.2
|
0.8
|
CZ
|
A:PHE192
|
3.3
|
42.9
|
1.0
|
C5'
|
A:3UC402
|
3.4
|
52.3
|
0.7
|
C4
|
A:FAD401
|
3.4
|
49.6
|
0.7
|
C1'
|
A:3UC402
|
3.5
|
56.2
|
0.5
|
N3
|
A:FAD401
|
3.9
|
49.4
|
0.7
|
O3B
|
A:3UC402
|
3.9
|
62.3
|
1.0
|
O5'
|
A:3UC402
|
3.9
|
56.3
|
0.3
|
CE1
|
A:PHE192
|
4.0
|
38.1
|
1.0
|
CE2
|
A:PHE192
|
4.4
|
42.8
|
1.0
|
C4X
|
A:FAD401
|
4.4
|
51.8
|
0.7
|
C6'
|
A:3UC402
|
4.5
|
49.8
|
0.5
|
O
|
A:HOH649
|
4.6
|
59.9
|
1.0
|
CB
|
A:LEU66
|
4.6
|
34.3
|
1.0
|
O
|
A:LEU66
|
4.6
|
41.8
|
1.0
|
NE2
|
A:HIS68
|
4.7
|
40.5
|
1.0
|
CD2
|
A:LEU66
|
4.7
|
37.0
|
1.0
|
N5
|
A:FAD401
|
4.7
|
50.0
|
0.7
|
N
|
A:LEU66
|
4.8
|
41.3
|
1.0
|
NH2
|
A:ARG180
|
4.9
|
60.1
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 4rpl
Go back to
Fluorine Binding Sites List in 4rpl
Fluorine binding site 8 out
of 12 in the Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
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 Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F402
b:54.0
occ:0.75
|
F3'
|
A:3UC402
|
0.0
|
54.0
|
0.8
|
C3'
|
A:3UC402
|
1.5
|
52.9
|
0.8
|
F3''
|
A:3UC402
|
1.9
|
52.2
|
0.9
|
C2'
|
A:3UC402
|
2.4
|
57.0
|
0.6
|
C4'
|
A:3UC402
|
2.4
|
53.4
|
0.7
|
O3B
|
A:3UC402
|
2.7
|
62.3
|
1.0
|
C5'
|
A:3UC402
|
2.8
|
52.3
|
0.7
|
C1'
|
A:3UC402
|
2.9
|
56.2
|
0.5
|
F2'
|
A:3UC402
|
2.9
|
51.2
|
1.0
|
O
|
A:HOH649
|
3.1
|
59.9
|
1.0
|
O5'
|
A:3UC402
|
3.2
|
56.3
|
0.3
|
F2''
|
A:3UC402
|
3.5
|
54.7
|
0.7
|
O1A
|
A:3UC402
|
3.6
|
62.8
|
1.0
|
O4'
|
A:3UC402
|
3.7
|
51.2
|
0.8
|
CZ
|
A:PHE192
|
3.8
|
42.9
|
1.0
|
CE1
|
A:PHE192
|
3.9
|
38.1
|
1.0
|
O2A
|
A:3UC402
|
3.9
|
54.8
|
1.0
|
CE2
|
A:TYR191
|
4.0
|
46.4
|
1.0
|
PB
|
A:3UC402
|
4.1
|
64.8
|
1.0
|
C6'
|
A:3UC402
|
4.2
|
49.8
|
0.5
|
PA
|
A:3UC402
|
4.2
|
62.4
|
1.0
|
NH2
|
A:ARG180
|
4.3
|
60.1
|
1.0
|
O4
|
A:FAD401
|
4.4
|
41.7
|
0.7
|
CD2
|
A:TYR191
|
4.6
|
43.8
|
1.0
|
O2B
|
A:3UC402
|
4.6
|
58.9
|
1.0
|
O3A
|
A:3UC402
|
4.7
|
61.0
|
1.0
|
O6'
|
A:3UC402
|
4.8
|
37.9
|
1.0
|
|
Fluorine binding site 9 out
of 12 in 4rpl
Go back to
Fluorine Binding Sites List in 4rpl
Fluorine binding site 9 out
of 12 in the Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
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 Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F402
b:61.7
occ:0.76
|
F2''
|
C:3UC402
|
0.0
|
61.7
|
0.8
|
C2'
|
C:3UC402
|
1.4
|
62.2
|
0.5
|
F2'
|
C:3UC402
|
2.1
|
56.4
|
0.8
|
C3'
|
C:3UC402
|
2.2
|
58.0
|
0.6
|
O4'
|
C:3UC402
|
2.2
|
57.7
|
0.5
|
C4'
|
C:3UC402
|
2.5
|
54.8
|
0.8
|
C1'
|
C:3UC402
|
2.6
|
64.4
|
0.6
|
F3''
|
C:3UC402
|
2.6
|
55.9
|
0.6
|
O4
|
C:FAD401
|
2.8
|
41.9
|
0.7
|
C5'
|
C:3UC402
|
3.2
|
55.5
|
1.0
|
N5
|
C:FAD401
|
3.3
|
52.2
|
0.7
|
O5'
|
C:3UC402
|
3.3
|
62.4
|
0.7
|
C6'
|
C:3UC402
|
3.4
|
57.8
|
0.8
|
F3'
|
C:3UC402
|
3.5
|
60.1
|
0.7
|
C4
|
C:FAD401
|
3.6
|
49.8
|
0.7
|
O
|
C:ALA64
|
3.6
|
42.1
|
1.0
|
O3B
|
C:3UC402
|
3.7
|
66.4
|
0.6
|
C4X
|
C:FAD401
|
3.8
|
51.8
|
0.7
|
O
|
C:HOH618
|
4.1
|
59.2
|
0.9
|
C5X
|
C:FAD401
|
4.2
|
55.4
|
0.7
|
O
|
C:HOH603
|
4.4
|
53.0
|
1.0
|
C6
|
C:FAD401
|
4.4
|
56.8
|
0.7
|
NH2
|
C:ARG292
|
4.5
|
50.6
|
1.0
|
C
|
C:ALA64
|
4.6
|
44.5
|
1.0
|
CD2
|
C:LEU66
|
4.6
|
48.4
|
1.0
|
O1B
|
C:3UC402
|
4.7
|
71.1
|
0.8
|
O6'
|
C:3UC402
|
4.7
|
43.9
|
1.0
|
N3
|
C:FAD401
|
4.8
|
46.9
|
0.7
|
PB
|
C:3UC402
|
4.8
|
74.9
|
0.5
|
NH1
|
C:ARG292
|
5.0
|
59.7
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 4rpl
Go back to
Fluorine Binding Sites List in 4rpl
Fluorine binding site 10 out
of 12 in the Crystal Structure of Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp
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 Micobacterium Tuberculosis Udp-Galactopyranose Mutase in Complex with Tetrafluorinated Substrate Analog Udp-F4-Galp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F402
b:56.4
occ:0.84
|
F2'
|
C:3UC402
|
0.0
|
56.4
|
0.8
|
C2'
|
C:3UC402
|
1.4
|
62.2
|
0.5
|
F2''
|
C:3UC402
|
2.1
|
61.7
|
0.8
|
C3'
|
C:3UC402
|
2.4
|
58.0
|
0.6
|
C1'
|
C:3UC402
|
2.5
|
64.4
|
0.6
|
O
|
C:HOH618
|
2.5
|
59.2
|
0.9
|
F3''
|
C:3UC402
|
2.7
|
55.9
|
0.6
|
O3B
|
C:3UC402
|
2.7
|
66.4
|
0.6
|
F3'
|
C:3UC402
|
3.0
|
60.1
|
0.7
|
N5
|
C:FAD401
|
3.1
|
52.2
|
0.7
|
OH
|
C:TYR366
|
3.2
|
64.6
|
1.0
|
C4X
|
C:FAD401
|
3.4
|
51.8
|
0.7
|
O4
|
C:FAD401
|
3.5
|
41.9
|
0.7
|
C4'
|
C:3UC402
|
3.6
|
54.8
|
0.8
|
C4
|
C:FAD401
|
3.7
|
49.8
|
0.7
|
PB
|
C:3UC402
|
3.7
|
74.9
|
0.5
|
O5'
|
C:3UC402
|
3.7
|
62.4
|
0.7
|
C5X
|
C:FAD401
|
3.7
|
55.4
|
0.7
|
O1B
|
C:3UC402
|
3.8
|
71.1
|
0.8
|
NH1
|
C:ARG180
|
3.9
|
62.4
|
0.4
|
O4'
|
C:3UC402
|
4.0
|
57.7
|
0.5
|
O2B
|
C:3UC402
|
4.0
|
71.1
|
1.0
|
C6
|
C:FAD401
|
4.1
|
56.8
|
0.7
|
C5'
|
C:3UC402
|
4.2
|
55.5
|
1.0
|
CZ
|
C:TYR366
|
4.3
|
63.3
|
1.0
|
C10
|
C:FAD401
|
4.3
|
50.0
|
0.7
|
C9A
|
C:FAD401
|
4.5
|
55.1
|
0.7
|
OH
|
C:TYR328
|
4.6
|
68.2
|
1.0
|
N3
|
C:FAD401
|
4.7
|
46.9
|
0.7
|
CE2
|
C:TYR366
|
4.8
|
68.0
|
1.0
|
N10
|
C:FAD401
|
4.8
|
55.7
|
0.7
|
OD2
|
C:ASP368
|
4.9
|
55.5
|
1.0
|
O
|
C:ALA64
|
4.9
|
42.1
|
1.0
|
C6'
|
C:3UC402
|
4.9
|
57.8
|
0.8
|
NH2
|
C:ARG292
|
5.0
|
50.6
|
1.0
|
|
Reference:
K.E.Van Straaten,
J.R.Kuttiyatveetil,
C.M.Sevrain,
S.A.Villaume,
J.Jimenez-Barbero,
B.Linclau,
S.P.Vincent,
D.A.Sanders.
Structural Basis of Ligand Binding to Udp-Galactopyranose Mutase From Mycobacterium Tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues. J.Am.Chem.Soc. V. 137 1230 2015.
ISSN: ISSN 0002-7863
PubMed: 25562380
DOI: 10.1021/JA511204P
Page generated: Thu Aug 1 05:36:11 2024
|