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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:

Magnesium (Mg) 3 atoms

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

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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

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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

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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

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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
Page generated: Tue Jul 15 05:51:41 2025

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