Atomistry » Fluorine » PDB 3wyl-460d » 3zi4
Atomistry »
  Fluorine »
    PDB 3wyl-460d »
      3zi4 »

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: Sun Dec 13 11:58:04 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy