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Fluorine in PDB 2wf7: Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride

Enzymatic activity of Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride

All present enzymatic activity of Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride:
5.4.2.6;

Protein crystallography data

The structure of Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride, PDB code: 2wf7 was solved by M.W.Bowler, N.J.Baxter, C.E.Webster, S.Pollard, T.Alizadeh, A.M.Hounslow, M.J.Cliff, W.Bermel, N.H.Williams, F.Hollfelder, G.M.Blackburn, J.P.Waltho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.500, 54.300, 104.700, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 17.6

Other elements in 2wf7:

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

Magnesium (Mg) 2 atoms
Aluminium (Al) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride (pdb code 2wf7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride, PDB code: 2wf7:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 2wf7

Go back to Fluorine Binding Sites List in 2wf7
Fluorine binding site 1 out of 4 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1219

b:7.5
occ:1.00
 F1 A:ALF1219 0.0 7.5 1.0
AL A:ALF1219 1.8 6.3 1.0
F3 A:ALF1219 2.4 7.0 1.0
F2 A:ALF1219 2.5 6.5 1.0
OD1 A:ASP8 2.6 6.6 1.0
N A:ALA115 2.7 7.3 1.0
O1 A:G7P1221 2.7 6.3 1.0
NZ A:LYS145 2.8 8.5 1.0
CA A:SER114 3.0 7.5 1.0
OG A:SER114 3.1 7.0 1.0
C A:SER114 3.3 7.6 1.0
CB A:SER114 3.5 7.1 1.0
C1 A:G7P1221 3.6 6.6 1.0
F4 A:ALF1219 3.6 6.3 1.0
CE A:LYS145 3.7 9.6 1.0
CB A:ALA115 3.7 9.2 1.0
CA A:ALA115 3.8 7.7 1.0
CG A:ASP8 3.8 6.2 1.0
O A:ALA113 3.9 8.3 1.0
O5 A:G7P1221 4.2 6.9 1.0
N A:SER114 4.2 7.5 1.0
N A:SER116 4.3 7.3 1.0
CD A:LYS145 4.5 9.7 1.0
C A:ALA113 4.5 7.7 1.0
N A:LEU9 4.5 5.9 1.0
C A:ALA115 4.6 7.7 1.0
O A:SER114 4.6 8.9 1.0
OD2 A:ASP8 4.7 6.6 1.0
CB A:ASP8 4.7 6.6 1.0
O A:HOH2240 4.8 7.6 1.0
CA A:ASP8 4.8 6.2 1.0
OD2 A:ASP10 4.8 7.0 1.0
C2 A:G7P1221 4.8 6.8 1.0
OE2 A:GLU169 4.8 9.8 1.0
O2 A:G7P1221 4.9 6.8 1.0

Fluorine binding site 2 out of 4 in 2wf7

Go back to Fluorine Binding Sites List in 2wf7
Fluorine binding site 2 out of 4 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1219

b:6.5
occ:1.00
 F2 A:ALF1219 0.0 6.5 1.0
AL A:ALF1219 1.8 6.3 1.0
O1 A:G7P1221 2.5 6.3 1.0
F1 A:ALF1219 2.5 7.5 1.0
OD1 A:ASP8 2.6 6.6 1.0
F4 A:ALF1219 2.6 6.3 1.0
N A:ASP10 2.8 5.7 1.0
OG A:SER114 2.8 7.0 1.0
N A:LEU9 2.9 5.9 1.0
OD2 A:ASP10 3.1 7.0 1.0
CB A:LEU9 3.2 6.5 0.5
CA A:LEU9 3.3 6.1 0.5
CA A:LEU9 3.4 5.8 0.5
CG A:ASP8 3.4 6.2 1.0
CB A:LEU9 3.4 5.7 0.5
C A:LEU9 3.5 5.5 1.0
CG A:ASP10 3.6 6.1 1.0
F3 A:ALF1219 3.6 7.0 1.0
CB A:SER114 3.6 7.1 1.0
CB A:ASP10 3.8 5.8 1.0
OD2 A:ASP8 3.8 6.6 1.0
CA A:ASP10 3.9 5.6 1.0
C1 A:G7P1221 3.9 6.6 1.0
C A:ASP8 4.0 6.0 1.0
CA A:SER114 4.1 7.5 1.0
MG A:MG1220 4.3 6.0 1.0
CA A:ASP8 4.3 6.2 1.0
OD1 A:ASP10 4.4 6.8 1.0
CG A:LEU9 4.4 8.5 0.5
CB A:ASP8 4.5 6.6 1.0
O A:ASP10 4.5 6.3 1.0
N A:ALA115 4.6 7.3 1.0
O5 A:G7P1221 4.6 6.9 1.0
C A:ASP10 4.7 5.7 1.0
C2 A:G7P1221 4.7 6.8 1.0
O A:LEU9 4.7 5.7 1.0
O2 A:G7P1221 4.8 6.8 1.0
CG A:LEU9 4.8 6.2 0.5
NZ A:LYS145 4.8 8.5 1.0
CD1 A:LEU9 4.8 10.2 0.5
C A:SER114 4.9 7.6 1.0
CD2 A:LEU9 4.9 10.3 0.5
CB A:SER116 4.9 7.3 1.0
O A:HOH2240 5.0 7.6 1.0

Fluorine binding site 3 out of 4 in 2wf7

Go back to Fluorine Binding Sites List in 2wf7
Fluorine binding site 3 out of 4 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1219

b:7.0
occ:1.00
 F3 A:ALF1219 0.0 7.0 1.0
AL A:ALF1219 1.8 6.3 1.0
F1 A:ALF1219 2.4 7.5 1.0
F4 A:ALF1219 2.5 6.3 1.0
O A:HOH2240 2.6 7.6 1.0
OD1 A:ASP8 2.7 6.6 1.0
O1 A:G7P1221 2.7 6.3 1.0
C1 A:G7P1221 3.1 6.6 1.0
NZ A:LYS145 3.1 8.5 1.0
CA A:GLY46 3.1 8.6 1.0
O2 A:G7P1221 3.1 6.8 1.0
F2 A:ALF1219 3.6 6.5 1.0
CG A:ASP8 3.6 6.2 1.0
MG A:MG1220 3.6 6.0 1.0
C2 A:G7P1221 3.7 6.8 1.0
N A:GLY46 3.8 8.2 1.0
OD2 A:ASP8 3.9 6.6 1.0
C A:GLY46 3.9 8.9 1.0
O A:GLY46 3.9 10.0 1.0
CD A:LYS145 4.0 9.7 1.0
OE2 A:GLU169 4.0 9.8 1.0
CE A:LYS145 4.0 9.6 1.0
O5 A:G7P1221 4.3 6.9 1.0
O A:HOH2241 4.5 7.4 1.0
OE1 A:GLU169 4.5 9.3 1.0
CB A:ALA115 4.7 9.2 1.0
CD A:GLU169 4.7 8.5 1.0
N A:ALA115 4.8 7.3 1.0
C3 A:G7P1221 4.8 7.8 1.0
OG A:SER171 4.8 9.5 1.0
CB A:ASP8 4.8 6.6 1.0

Fluorine binding site 4 out of 4 in 2wf7

Go back to Fluorine Binding Sites List in 2wf7
Fluorine binding site 4 out of 4 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Beta-Phosphoglucomutase Inhibited with Glucose- 6-Phosphonate and Aluminium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1219

b:6.3
occ:1.00
 F4 A:ALF1219 0.0 6.3 1.0
AL A:ALF1219 1.8 6.3 1.0
MG A:MG1220 2.0 6.0 1.0
F3 A:ALF1219 2.5 7.0 1.0
F2 A:ALF1219 2.6 6.5 1.0
O1 A:G7P1221 2.6 6.3 1.0
OD1 A:ASP8 2.7 6.6 1.0
OD2 A:ASP8 2.8 6.6 1.0
O A:HOH2240 2.8 7.6 1.0
O2 A:G7P1221 2.8 6.8 1.0
O A:ASP10 3.0 6.3 1.0
O A:HOH2241 3.1 7.4 1.0
CG A:ASP8 3.1 6.2 1.0
CB A:ASP10 3.2 5.8 1.0
N A:ASP10 3.3 5.7 1.0
C1 A:G7P1221 3.5 6.6 1.0
C2 A:G7P1221 3.5 6.8 1.0
CA A:ASP10 3.5 5.6 1.0
F1 A:ALF1219 3.6 7.5 1.0
OD2 A:ASP10 3.6 7.0 1.0
C A:ASP10 3.6 5.7 1.0
CG A:ASP10 3.8 6.1 1.0
OD1 A:ASP170 4.1 6.5 1.0
C A:LEU9 4.3 5.5 1.0
N A:LEU9 4.4 5.9 1.0
O A:HOH2283 4.5 8.4 1.0
CB A:ASP8 4.6 6.6 1.0
O5 A:G7P1221 4.7 6.9 1.0
N A:GLY46 4.8 8.2 1.0
CA A:GLY46 4.8 8.6 1.0
CA A:LEU9 4.9 6.1 0.5
CA A:LEU9 4.9 5.8 0.5
N A:GLY11 4.9 5.7 1.0
C3 A:G7P1221 5.0 7.8 1.0
NZ A:LYS145 5.0 8.5 1.0
CG A:ASP170 5.0 6.0 1.0
OD1 A:ASP10 5.0 6.8 1.0

Reference:

Y.Jin, D.Bhattasali, E.Pellegrini, S.M.Forget, N.J.Baxter, M.J.Cliff, M.W.Bowler, D.L.Jakeman, G.M.Blackburn, J.P.Waltho. Alpha-Fluorophosphonates Reveal How A Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in Its Two-Step Reaction. Proc.Natl.Acad.Sci.Usa V. 111 12384 2014.
ISSN: ISSN 0027-8424
PubMed: 25104750
DOI: 10.1073/PNAS.1402850111
Page generated: Sun Dec 13 11:41:01 2020

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