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Fluorine in PDB 3zi4: The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride

Enzymatic activity of The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride

All present enzymatic activity of The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride:
5.4.2.6;

Protein crystallography data

The structure of The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride, PDB code: 3zi4 was solved by E.Pellegrini, M.W.Bowler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.33
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.152, 54.238, 104.550, 90.00, 90.00, 90.00
R / Rfree (%) 13.018 / 17.379

Other elements in 3zi4:

The structure of The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride also contains other interesting chemical elements:

Scandium (Sc) 1 atom
Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride (pdb code 3zi4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride, PDB code: 3zi4:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 3zi4

Go back to Fluorine Binding Sites List in 3zi4
Fluorine binding site 1 out of 4 in the The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1221

b:6.6
occ:1.00
 F1 A:SFL1221 0.0 6.6 1.0
SC A:SFL1221 1.9 7.7 0.8
MG A:MG1219 2.0 7.0 1.0
O2 A:BG61220 2.7 7.4 1.0
F4 A:SFL1221 2.7 14.6 1.0
O1 A:BG61220 2.8 6.6 1.0
O A:HOH2012 2.8 7.3 1.0
OD2 A:ASP8 2.9 6.8 1.0
O A:ASP10 2.9 5.9 1.0
OD1 A:ASP8 2.9 6.5 1.0
O A:HOH2018 3.0 6.8 1.0
F3 A:SFL1221 3.0 7.6 1.0
CB A:ASP10 3.2 5.7 1.0
CG A:ASP8 3.3 6.2 1.0
N A:ASP10 3.5 6.2 1.0
C2 A:BG61220 3.5 6.8 1.0
C1 A:BG61220 3.6 6.8 1.0
CA A:ASP10 3.6 5.6 1.0
C A:ASP10 3.6 5.7 1.0
OD2 A:ASP10 3.7 7.4 1.0
F2 A:SFL1221 3.8 15.3 1.0
CG A:ASP10 3.9 6.2 1.0
OD1 A:ASP170 4.0 6.0 1.0
O A:HOH2422 4.3 8.7 1.0
N A:GLY46 4.5 7.5 1.0
C A:LEU9 4.5 5.4 1.0
CA A:GLY46 4.6 8.4 1.0
N A:LEU9 4.7 6.9 1.0
CB A:ASP8 4.8 6.7 1.0
O5 A:BG61220 4.8 7.2 1.0
C3 A:BG61220 4.9 7.8 1.0
N A:GLY11 4.9 6.0 1.0
CG A:ASP170 5.0 6.7 1.0

Fluorine binding site 2 out of 4 in 3zi4

Go back to Fluorine Binding Sites List in 3zi4
Fluorine binding site 2 out of 4 in the The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1221

b:15.3
occ:1.00
 F2 A:SFL1221 0.0 15.3 1.0
SC A:SFL1221 1.9 7.7 0.8
F4 A:SFL1221 2.4 14.6 1.0
N A:ALA115 2.5 10.3 1.0
NZ A:LYS145 2.6 9.4 1.0
OD1 A:ASP8 2.8 6.5 1.0
O1 A:BG61220 2.9 6.6 1.0
F3 A:SFL1221 3.0 7.6 1.0
CA A:SER114 3.1 10.4 1.0
C A:SER114 3.3 9.2 1.0
CE A:LYS145 3.4 10.0 1.0
CB A:ALA115 3.5 11.4 1.0
OG A:SER114 3.5 7.8 1.0
CA A:ALA115 3.6 9.8 1.0
C1 A:BG61220 3.7 6.8 1.0
F1 A:SFL1221 3.8 6.6 1.0
CB A:SER114 3.8 8.6 1.0
O A:ALA113 3.8 8.4 1.0
CG A:ASP8 4.0 6.2 1.0
CD A:LYS145 4.1 10.7 1.0
N A:SER114 4.2 9.0 1.0
N A:SER116 4.3 7.9 1.0
O5 A:BG61220 4.4 7.2 1.0
C A:ALA115 4.4 8.3 1.0
C A:ALA113 4.5 8.2 1.0
O A:SER114 4.5 11.7 1.0
O A:HOH2012 4.6 7.3 1.0
OE2 A:GLU169 4.7 10.6 1.0
OD2 A:ASP8 4.8 6.8 1.0
O2 A:BG61220 4.8 7.4 1.0
C2 A:BG61220 4.9 6.8 1.0
O A:GLY46 4.9 10.0 1.0
CB A:ASP8 5.0 6.7 1.0
N A:LEU9 5.0 6.9 1.0

Fluorine binding site 3 out of 4 in 3zi4

Go back to Fluorine Binding Sites List in 3zi4
Fluorine binding site 3 out of 4 in the The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1221

b:7.6
occ:1.00
 F3 A:SFL1221 0.0 7.6 1.0
SC A:SFL1221 2.0 7.7 0.8
OG A:SER114 2.6 7.8 1.0
O1 A:BG61220 2.7 6.6 1.0
N A:ASP10 2.8 6.2 1.0
OD1 A:ASP8 2.8 6.5 1.0
N A:LEU9 2.9 6.9 1.0
F1 A:SFL1221 3.0 6.6 1.0
F2 A:SFL1221 3.0 15.3 1.0
CB A:LEU9 3.3 7.0 1.0
OD2 A:ASP10 3.3 7.4 1.0
CA A:LEU9 3.3 6.5 1.0
CB A:SER114 3.3 8.6 1.0
C A:LEU9 3.5 5.4 1.0
CG A:ASP10 3.6 6.2 1.0
CG A:ASP8 3.6 6.2 1.0
CB A:ASP10 3.8 5.7 1.0
CA A:ASP10 3.9 5.6 1.0
CA A:SER114 3.9 10.4 1.0
OD2 A:ASP8 4.0 6.8 1.0
F4 A:SFL1221 4.1 14.6 1.0
C A:ASP8 4.1 6.3 1.0
C1 A:BG61220 4.1 6.8 1.0
OD1 A:ASP10 4.3 6.7 1.0
CA A:ASP8 4.5 6.9 1.0
N A:ALA115 4.5 10.3 1.0
MG A:MG1219 4.5 7.0 1.0
O A:ASP10 4.6 5.9 1.0
CG A:LEU9 4.6 7.7 1.0
CB A:ASP8 4.6 6.7 1.0
O A:LEU9 4.7 6.1 1.0
C A:SER114 4.7 9.2 1.0
C A:ASP10 4.8 5.7 1.0
CB A:SER116 4.8 7.2 1.0
O5 A:BG61220 4.8 7.2 1.0
N A:SER116 4.9 7.9 1.0
C2 A:BG61220 4.9 6.8 1.0
O2 A:BG61220 4.9 7.4 1.0

Fluorine binding site 4 out of 4 in 3zi4

Go back to Fluorine Binding Sites List in 3zi4
Fluorine binding site 4 out of 4 in the The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6-Phospahte and Scandium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1221

b:14.6
occ:1.00
 F4 A:SFL1221 0.0 14.6 1.0
SC A:SFL1221 2.0 7.7 0.8
F2 A:SFL1221 2.4 15.3 1.0
O A:HOH2012 2.5 7.3 1.0
F1 A:SFL1221 2.7 6.6 1.0
OD1 A:ASP8 2.9 6.5 1.0
CA A:GLY46 3.0 8.4 1.0
NZ A:LYS145 3.0 9.4 1.0
O1 A:BG61220 3.2 6.6 1.0
O2 A:BG61220 3.4 7.4 1.0
C1 A:BG61220 3.5 6.8 1.0
MG A:MG1219 3.7 7.0 1.0
CD A:LYS145 3.7 10.7 1.0
N A:GLY46 3.7 7.5 1.0
CG A:ASP8 3.7 6.2 1.0
O A:GLY46 3.8 10.0 1.0
C A:GLY46 3.8 9.5 1.0
OE2 A:GLU169 3.8 10.6 1.0
CE A:LYS145 3.9 10.0 1.0
OD2 A:ASP8 4.0 6.8 1.0
C2 A:BG61220 4.0 6.8 1.0
F3 A:SFL1221 4.1 7.6 1.0
OG A:SER171 4.6 8.7 1.0
CB A:ALA115 4.6 11.4 1.0
OE1 A:GLU169 4.6 11.1 1.0
CD A:GLU169 4.6 9.5 1.0
O A:HOH2018 4.6 6.8 1.0
N A:ALA115 4.7 10.3 1.0
O5 A:BG61220 4.7 7.2 1.0
N A:VAL47 4.9 8.8 1.0
C A:LYS45 4.9 8.0 1.0
CB A:ASP8 5.0 6.7 1.0

Reference:

M.W.Bowler, E.Pellegrini. Metal Fluorides: Multi-Functional Tools For the Study of Phosphoryl Transfer Enzymes To Be Published.
Page generated: Mon Jul 14 20:12:33 2025

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