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Fluorine in PDB 2wf6: Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Aluminium Tetrafluoride

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

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

Protein crystallography data

The structure of Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Aluminium Tetrafluoride, PDB code: 2wf6 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 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.800, 54.500, 105.000, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 19.1

Other elements in 2wf6:

The structure of Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate 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- Phosphate and Aluminium Tetrafluoride (pdb code 2wf6). 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- Phosphate and Aluminium Tetrafluoride, PDB code: 2wf6:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 2wf6

Go back to Fluorine Binding Sites List in 2wf6
Fluorine binding site 1 out of 4 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate 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- Phosphate and Aluminium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1219

b:10.8
occ:1.00
 F1 A:ALF1219 0.0 10.8 1.0
AL A:ALF1219 1.8 11.7 1.0
F3 A:ALF1219 2.5 10.8 1.0
F2 A:ALF1219 2.6 10.5 1.0
OD1 A:ASP8 2.6 9.8 1.0
N A:ALA115 2.7 11.1 1.0
O1 A:BG61221 2.7 9.7 1.0
NZ A:LYS145 2.8 11.3 1.0
CA A:SER114 3.0 10.1 1.0
OG A:SER114 3.1 10.3 1.0
C A:SER114 3.3 11.0 1.0
CB A:SER114 3.5 9.7 1.0
F4 A:ALF1219 3.6 9.7 1.0
C1 A:BG61221 3.6 9.5 1.0
CE A:LYS145 3.8 13.9 1.0
CA A:ALA115 3.8 10.7 1.0
CB A:ALA115 3.8 11.5 1.0
CG A:ASP8 3.9 8.7 1.0
O A:ALA113 3.9 10.9 1.0
N A:SER114 4.2 9.8 1.0
O5 A:BG61221 4.3 10.4 1.0
N A:SER116 4.3 10.6 1.0
C A:ALA113 4.5 10.1 1.0
O A:SER114 4.5 12.2 1.0
N A:LEU9 4.5 9.3 1.0
CD A:LYS145 4.6 14.1 1.0
C A:ALA115 4.6 11.0 1.0
OD2 A:ASP8 4.7 8.5 1.0
CB A:ASP8 4.8 9.2 1.0
OD2 A:ASP10 4.8 10.6 1.0
O A:HOH2210 4.8 10.2 1.0
CA A:ASP8 4.8 9.2 1.0
C2 A:BG61221 4.8 9.4 1.0
OE2 A:GLU169 4.9 11.9 1.0
O2 A:BG61221 4.9 10.4 1.0

Fluorine binding site 2 out of 4 in 2wf6

Go back to Fluorine Binding Sites List in 2wf6
Fluorine binding site 2 out of 4 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate 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- Phosphate and Aluminium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1219

b:10.5
occ:1.00
 F2 A:ALF1219 0.0 10.5 1.0
AL A:ALF1219 1.8 11.7 1.0
O1 A:BG61221 2.5 9.7 1.0
F1 A:ALF1219 2.6 10.8 1.0
F4 A:ALF1219 2.6 9.7 1.0
OD1 A:ASP8 2.6 9.8 1.0
N A:ASP10 2.8 8.9 1.0
OG A:SER114 2.9 10.3 1.0
N A:LEU9 2.9 9.3 1.0
OD2 A:ASP10 3.1 10.6 1.0
CB A:LEU9 3.3 9.7 1.0
CA A:LEU9 3.3 8.9 1.0
CG A:ASP8 3.4 8.7 1.0
C A:LEU9 3.5 8.9 1.0
CG A:ASP10 3.6 8.8 1.0
F3 A:ALF1219 3.6 10.8 1.0
CB A:SER114 3.6 9.7 1.0
CB A:ASP10 3.8 8.5 1.0
OD2 A:ASP8 3.8 8.5 1.0
CA A:ASP10 3.9 8.3 1.0
C1 A:BG61221 4.0 9.5 1.0
C A:ASP8 4.1 9.5 1.0
CA A:SER114 4.1 10.1 1.0
MG A:MG1220 4.3 10.8 1.0
OD1 A:ASP10 4.4 9.9 1.0
CA A:ASP8 4.4 9.2 1.0
O A:ASP10 4.5 9.1 1.0
CB A:ASP8 4.5 9.2 1.0
N A:ALA115 4.6 11.1 1.0
O5 A:BG61221 4.6 10.4 1.0
C A:ASP10 4.7 8.1 1.0
CG A:LEU9 4.7 11.3 1.0
O A:LEU9 4.7 9.0 1.0
C2 A:BG61221 4.7 9.4 1.0
O2 A:BG61221 4.8 10.4 1.0
NZ A:LYS145 4.9 11.3 1.0
C A:SER114 4.9 11.0 1.0
O A:HOH2210 5.0 10.2 1.0
CB A:SER116 5.0 10.4 1.0

Fluorine binding site 3 out of 4 in 2wf6

Go back to Fluorine Binding Sites List in 2wf6
Fluorine binding site 3 out of 4 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate 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- Phosphate and Aluminium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1219

b:10.8
occ:1.00
 F3 A:ALF1219 0.0 10.8 1.0
AL A:ALF1219 1.8 11.7 1.0
F1 A:ALF1219 2.5 10.8 1.0
F4 A:ALF1219 2.5 9.7 1.0
O A:HOH2210 2.6 10.2 1.0
OD1 A:ASP8 2.7 9.8 1.0
O1 A:BG61221 2.8 9.7 1.0
C1 A:BG61221 3.1 9.5 1.0
NZ A:LYS145 3.1 11.3 1.0
O2 A:BG61221 3.2 10.4 1.0
CA A:GLY46 3.2 12.0 1.0
F2 A:ALF1219 3.6 10.5 1.0
CG A:ASP8 3.6 8.7 1.0
MG A:MG1220 3.7 10.8 1.0
C2 A:BG61221 3.7 9.4 1.0
N A:GLY46 3.8 11.3 1.0
OD2 A:ASP8 3.9 8.5 1.0
C A:GLY46 4.0 12.8 1.0
O A:GLY46 4.0 13.2 1.0
OE2 A:GLU169 4.0 11.9 1.0
CD A:LYS145 4.0 14.1 1.0
CE A:LYS145 4.0 13.9 1.0
O5 A:BG61221 4.4 10.4 1.0
O A:HOH2211 4.6 10.9 1.0
OE1 A:GLU169 4.6 11.9 1.0
CB A:ALA115 4.7 11.5 1.0
CD A:GLU169 4.7 10.6 1.0
N A:ALA115 4.8 11.1 1.0
OG A:SER171 4.8 11.9 1.0
C3 A:BG61221 4.8 9.6 1.0
CB A:ASP8 4.9 9.2 1.0

Fluorine binding site 4 out of 4 in 2wf6

Go back to Fluorine Binding Sites List in 2wf6
Fluorine binding site 4 out of 4 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate 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- Phosphate and Aluminium Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1219

b:9.7
occ:1.00
 F4 A:ALF1219 0.0 9.7 1.0
AL A:ALF1219 1.8 11.7 1.0
MG A:MG1220 2.0 10.8 1.0
F3 A:ALF1219 2.5 10.8 1.0
O1 A:BG61221 2.6 9.7 1.0
F2 A:ALF1219 2.6 10.5 1.0
OD1 A:ASP8 2.7 9.8 1.0
OD2 A:ASP8 2.8 8.5 1.0
O A:HOH2210 2.8 10.2 1.0
O2 A:BG61221 2.8 10.4 1.0
O A:ASP10 3.0 9.1 1.0
O A:HOH2211 3.1 10.9 1.0
CG A:ASP8 3.1 8.7 1.0
CB A:ASP10 3.2 8.5 1.0
N A:ASP10 3.3 8.9 1.0
C2 A:BG61221 3.5 9.4 1.0
C1 A:BG61221 3.5 9.5 1.0
CA A:ASP10 3.5 8.3 1.0
F1 A:ALF1219 3.6 10.8 1.0
OD2 A:ASP10 3.6 10.6 1.0
C A:ASP10 3.7 8.1 1.0
CG A:ASP10 3.8 8.8 1.0
OD1 A:ASP170 4.1 10.2 1.0
C A:LEU9 4.4 8.9 1.0
N A:LEU9 4.4 9.3 1.0
O A:HOH2250 4.5 11.4 1.0
CB A:ASP8 4.6 9.2 1.0
O5 A:BG61221 4.8 10.4 1.0
N A:GLY46 4.8 11.3 1.0
CA A:GLY46 4.9 12.0 1.0
CA A:LEU9 4.9 8.9 1.0
C3 A:BG61221 5.0 9.6 1.0
N A:GLY11 5.0 8.5 1.0

Reference:

N.J.Baxter, M.W.Bowler, T.Alizadeh, M.J.Cliff, A.M.Hounslow, B.Wu, D.B.Berkowitz, N.H.Williams, G.M.Blackburn, J.P.Waltho. Atomic Details of Near-Transition State Conformers For Enzyme Phosphoryl Transfer Revealed By Mgf-3 Rather Than By Phosphoranes. Proc. Natl. Acad. Sci. V. 107 4555 2010U.S.A..
ISSN: ESSN 1091-6490
PubMed: 20164409
DOI: 10.1073/PNAS.0910333106
Page generated: Wed Jul 31 16:25:07 2024

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