Fluorine in PDB 5olx: 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form
Enzymatic activity of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form
All present enzymatic activity of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form:
5.4.2.6;
Protein crystallography data
The structure of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form, PDB code: 5olx
was solved by
M.W.Bowler,
J.Von Velsen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
1.38
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
37.530,
54.164,
104.225,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
15.4 /
20.9
|
Other elements in 5olx:
The structure of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form
(pdb code 5olx). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the
5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form, PDB code: 5olx:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
Fluorine binding site 1 out
of 5 in 5olx
Go back to
Fluorine Binding Sites List in 5olx
Fluorine binding site 1 out
of 5 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F24
b:11.3
occ:1.00
|
F
|
A:FTR24
|
0.0
|
11.3
|
1.0
|
CZ3
|
A:FTR24
|
1.3
|
8.5
|
1.0
|
CH2
|
A:FTR24
|
2.3
|
8.4
|
1.0
|
CE3
|
A:FTR24
|
2.4
|
7.4
|
1.0
|
CD1
|
A:LEU27
|
3.5
|
8.5
|
1.0
|
CD1
|
A:LEU53
|
3.5
|
8.3
|
1.0
|
CB
|
A:LEU53
|
3.5
|
8.1
|
1.0
|
CZ2
|
A:FTR24
|
3.6
|
7.3
|
1.0
|
CG
|
A:LEU27
|
3.6
|
9.2
|
1.0
|
CD2
|
A:FTR24
|
3.6
|
6.6
|
1.0
|
CG
|
A:LEU53
|
3.9
|
7.5
|
1.0
|
CA
|
A:LEU53
|
4.0
|
8.5
|
1.0
|
CB
|
A:LYS76
|
4.0
|
6.4
|
1.0
|
CE2
|
A:FTR24
|
4.1
|
6.2
|
1.0
|
CD2
|
A:LEU53
|
4.2
|
9.1
|
1.0
|
O
|
A:LEU72
|
4.2
|
8.3
|
1.0
|
CG
|
A:LYS76
|
4.4
|
7.9
|
1.0
|
CB
|
A:LEU27
|
4.4
|
7.8
|
1.0
|
CA
|
A:ALA73
|
4.5
|
8.8
|
1.0
|
C
|
A:LEU72
|
4.5
|
6.7
|
1.0
|
N
|
A:LEU53
|
4.5
|
7.9
|
1.0
|
CD1
|
A:ILE56
|
4.7
|
10.2
|
1.0
|
N
|
A:ALA73
|
4.7
|
7.9
|
1.0
|
CD2
|
A:LEU27
|
4.7
|
10.4
|
1.0
|
CD
|
A:LYS76
|
4.9
|
7.5
|
1.0
|
CG
|
A:FTR24
|
4.9
|
6.6
|
1.0
|
|
Fluorine binding site 2 out
of 5 in 5olx
Go back to
Fluorine Binding Sites List in 5olx
Fluorine binding site 2 out
of 5 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F216
b:18.1
occ:1.00
|
F
|
A:FTR216
|
0.0
|
18.1
|
1.0
|
CZ3
|
A:FTR216
|
1.3
|
13.1
|
1.0
|
CE3
|
A:FTR216
|
2.3
|
10.6
|
1.0
|
CH2
|
A:FTR216
|
2.3
|
13.4
|
1.0
|
O
|
A:SER165
|
3.0
|
9.9
|
1.0
|
CB
|
A:LEU184
|
3.3
|
10.1
|
1.0
|
C
|
A:SER165
|
3.5
|
8.2
|
1.0
|
CD2
|
A:FTR216
|
3.5
|
10.3
|
1.0
|
CZ2
|
A:FTR216
|
3.6
|
12.2
|
1.0
|
CG1
|
A:ILE166
|
3.6
|
7.8
|
1.0
|
N
|
A:SER165
|
4.0
|
8.2
|
1.0
|
CD2
|
A:LEU184
|
4.0
|
17.6
|
1.0
|
N
|
A:ILE166
|
4.0
|
7.2
|
1.0
|
CE2
|
A:FTR216
|
4.0
|
12.2
|
1.0
|
N
|
A:LEU184
|
4.1
|
8.6
|
1.0
|
CB
|
A:PHE2
|
4.2
|
8.4
|
1.0
|
CA
|
A:SER165
|
4.3
|
8.3
|
1.0
|
CG
|
A:LEU184
|
4.3
|
12.8
|
1.0
|
O
|
A:SER163
|
4.3
|
16.7
|
1.0
|
CA
|
A:LEU184
|
4.3
|
8.5
|
1.0
|
CA
|
A:ILE166
|
4.3
|
7.5
|
1.0
|
C
|
A:GLU164
|
4.4
|
8.3
|
1.0
|
CD1
|
A:ILE166
|
4.6
|
8.9
|
1.0
|
CB
|
A:ILE166
|
4.6
|
7.3
|
1.0
|
O
|
A:GLU164
|
4.8
|
11.4
|
1.0
|
CA
|
A:GLU164
|
4.8
|
11.2
|
1.0
|
CG
|
A:FTR216
|
4.9
|
10.9
|
1.0
|
C
|
A:SER163
|
4.9
|
13.4
|
1.0
|
|
Fluorine binding site 3 out
of 5 in 5olx
Go back to
Fluorine Binding Sites List in 5olx
Fluorine binding site 3 out
of 5 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F305
b:7.4
occ:1.00
|
MG
|
A:MGF304
|
1.9
|
8.0
|
1.0
|
MG
|
A:MG301
|
2.0
|
7.1
|
1.0
|
O2
|
A:BG6302
|
2.6
|
8.0
|
1.0
|
O
|
A:HOH485
|
2.8
|
6.6
|
1.0
|
O1
|
A:BG6302
|
2.8
|
7.4
|
1.0
|
O
|
A:HOH428
|
2.9
|
5.8
|
1.0
|
O
|
A:ASP10
|
2.9
|
5.8
|
1.0
|
OD2
|
A:ASP8
|
3.0
|
6.8
|
1.0
|
OD1
|
A:ASP8
|
3.0
|
8.5
|
1.0
|
F1
|
A:MGF306
|
3.0
|
7.4
|
1.0
|
CB
|
A:ASP10
|
3.2
|
5.7
|
1.0
|
CG
|
A:ASP8
|
3.3
|
6.1
|
1.0
|
F1
|
A:MGF307
|
3.3
|
11.1
|
1.0
|
C2
|
A:BG6302
|
3.4
|
7.0
|
1.0
|
C1
|
A:BG6302
|
3.5
|
7.8
|
1.0
|
N
|
A:ASP10
|
3.5
|
5.9
|
1.0
|
CA
|
A:ASP10
|
3.6
|
5.4
|
1.0
|
C
|
A:ASP10
|
3.6
|
5.2
|
1.0
|
OD2
|
A:ASP10
|
3.8
|
7.0
|
1.0
|
CG
|
A:ASP10
|
3.9
|
5.9
|
1.0
|
OD1
|
A:ASP170
|
4.0
|
6.0
|
1.0
|
O
|
A:HOH541
|
4.3
|
8.2
|
1.0
|
N
|
A:GLY46
|
4.4
|
7.1
|
1.0
|
CA
|
A:GLY46
|
4.5
|
7.7
|
1.0
|
C
|
A:LEU9
|
4.6
|
6.0
|
1.0
|
N
|
A:LEU9
|
4.7
|
5.4
|
1.0
|
C3
|
A:BG6302
|
4.8
|
7.8
|
1.0
|
O5
|
A:BG6302
|
4.8
|
7.3
|
1.0
|
CB
|
A:ASP8
|
4.8
|
6.1
|
1.0
|
CG
|
A:ASP170
|
4.9
|
5.9
|
1.0
|
N
|
A:GLY11
|
4.9
|
6.3
|
1.0
|
OD2
|
A:ASP170
|
4.9
|
6.7
|
1.0
|
|
Fluorine binding site 4 out
of 5 in 5olx
Go back to
Fluorine Binding Sites List in 5olx
Fluorine binding site 4 out
of 5 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F306
b:7.4
occ:1.00
|
MG
|
A:MGF304
|
1.9
|
8.0
|
1.0
|
OG
|
A:SER114
|
2.6
|
7.5
|
1.0
|
O1
|
A:BG6302
|
2.7
|
7.4
|
1.0
|
N
|
A:ASP10
|
2.7
|
5.9
|
1.0
|
OD1
|
A:ASP8
|
2.8
|
8.5
|
1.0
|
N
|
A:LEU9
|
2.9
|
5.4
|
1.0
|
F1
|
A:MGF305
|
3.0
|
7.4
|
1.0
|
CB
|
A:LEU9
|
3.2
|
5.9
|
1.0
|
OD2
|
A:ASP10
|
3.3
|
7.0
|
1.0
|
CB
|
A:SER114
|
3.3
|
8.4
|
1.0
|
CA
|
A:LEU9
|
3.3
|
6.5
|
1.0
|
F1
|
A:MGF307
|
3.4
|
11.1
|
1.0
|
C
|
A:LEU9
|
3.5
|
6.0
|
1.0
|
CG
|
A:ASP10
|
3.6
|
5.9
|
1.0
|
CG
|
A:ASP8
|
3.6
|
6.1
|
1.0
|
CA
|
A:SER114
|
3.7
|
8.2
|
1.0
|
CB
|
A:ASP10
|
3.8
|
5.7
|
1.0
|
CA
|
A:ASP10
|
3.8
|
5.4
|
1.0
|
C
|
A:ASP8
|
4.0
|
6.0
|
1.0
|
OD2
|
A:ASP8
|
4.1
|
6.8
|
1.0
|
C1
|
A:BG6302
|
4.1
|
7.8
|
1.0
|
OD1
|
A:ASP10
|
4.2
|
8.2
|
1.0
|
N
|
A:ALA115
|
4.4
|
9.0
|
1.0
|
CA
|
A:ASP8
|
4.4
|
5.4
|
1.0
|
MG
|
A:MG301
|
4.5
|
7.1
|
1.0
|
C
|
A:SER114
|
4.5
|
8.5
|
1.0
|
O
|
A:ASP10
|
4.5
|
5.8
|
1.0
|
CG
|
A:LEU9
|
4.6
|
8.1
|
1.0
|
CB
|
A:ASP8
|
4.6
|
6.1
|
1.0
|
CB
|
A:SER116
|
4.7
|
8.0
|
1.0
|
O
|
A:LEU9
|
4.7
|
5.8
|
1.0
|
C
|
A:ASP10
|
4.7
|
5.2
|
1.0
|
N
|
A:SER116
|
4.8
|
8.3
|
1.0
|
O5
|
A:BG6302
|
4.8
|
7.3
|
1.0
|
C2
|
A:BG6302
|
4.8
|
7.0
|
1.0
|
N
|
A:SER114
|
4.9
|
8.7
|
1.0
|
O2
|
A:BG6302
|
4.9
|
8.0
|
1.0
|
CD2
|
A:LEU9
|
4.9
|
9.3
|
1.0
|
|
Fluorine binding site 5 out
of 5 in 5olx
Go back to
Fluorine Binding Sites List in 5olx
Fluorine binding site 5 out
of 5 in the 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of 5-Fluorotryptophan Labeled Beta-Phosphoglucomutase in A Closed Conformation, Orthorhomic Crystal Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F307
b:11.1
occ:1.00
|
MG
|
A:MGF304
|
1.8
|
8.0
|
1.0
|
NZ
|
A:LYS145
|
2.5
|
8.5
|
1.0
|
O1
|
A:BG6302
|
2.8
|
7.4
|
1.0
|
OD1
|
A:ASP8
|
2.8
|
8.5
|
1.0
|
N
|
A:ALA115
|
2.9
|
9.0
|
1.0
|
C1
|
A:BG6302
|
3.3
|
7.8
|
1.0
|
F1
|
A:MGF305
|
3.3
|
7.4
|
1.0
|
F1
|
A:MGF306
|
3.4
|
7.4
|
1.0
|
CB
|
A:ALA115
|
3.4
|
12.2
|
1.0
|
CE
|
A:LYS145
|
3.4
|
9.1
|
1.0
|
CA
|
A:ALA115
|
3.7
|
10.0
|
1.0
|
CA
|
A:SER114
|
3.7
|
8.2
|
1.0
|
C
|
A:SER114
|
3.7
|
8.5
|
1.0
|
CD
|
A:LYS145
|
3.8
|
8.3
|
1.0
|
O
|
A:HOH485
|
3.9
|
6.6
|
1.0
|
CG
|
A:ASP8
|
3.9
|
6.1
|
1.0
|
CA
|
A:GLY46
|
4.0
|
7.7
|
1.0
|
O2
|
A:BG6302
|
4.1
|
8.0
|
1.0
|
OG
|
A:SER114
|
4.2
|
7.5
|
1.0
|
O5
|
A:BG6302
|
4.2
|
7.3
|
1.0
|
OE2
|
A:GLU169
|
4.3
|
10.1
|
1.0
|
C2
|
A:BG6302
|
4.3
|
7.0
|
1.0
|
O
|
A:ALA113
|
4.3
|
8.0
|
1.0
|
OD2
|
A:ASP8
|
4.5
|
6.8
|
1.0
|
CB
|
A:SER114
|
4.5
|
8.4
|
1.0
|
O
|
A:GLY46
|
4.5
|
9.7
|
1.0
|
N
|
A:SER116
|
4.6
|
8.3
|
1.0
|
C
|
A:GLY46
|
4.6
|
8.9
|
1.0
|
C
|
A:ALA115
|
4.6
|
8.8
|
1.0
|
MG
|
A:MG301
|
4.7
|
7.1
|
1.0
|
N
|
A:SER114
|
4.8
|
8.7
|
1.0
|
O
|
A:SER114
|
4.9
|
11.2
|
1.0
|
N
|
A:GLY46
|
4.9
|
7.1
|
1.0
|
CB
|
A:ASP8
|
5.0
|
6.1
|
1.0
|
C
|
A:ALA113
|
5.0
|
7.5
|
1.0
|
|
Reference:
A.Ampaw,
M.Carroll,
J.Von Velsen,
D.Bhattasali,
A.Cohen,
M.W.Bowler,
D.L.Jakeman.
Observing Enzyme Ternary Transition State Analogue Complexes BY19F uc(Nmr) Spectroscopy. Chem Sci V. 8 8427 2017.
ISSN: ISSN 2041-6520
PubMed: 29619190
DOI: 10.1039/C7SC04204C
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