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Fluorine in PDB 2wf5: Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Trifluoromagnesate

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

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

Protein crystallography data

The structure of Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Trifluoromagnesate, PDB code: 2wf5 was solved by M.W.Bowler, N.J.Baxter, C.E.Webster, A.M.Hounslow, M.J.Cliff, N.H.Williams, F.Hollfelder, S.Gamblin, 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 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.647, 54.659, 105.120, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 19.2

Other elements in 2wf5:

The structure of Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Trifluoromagnesate also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Trifluoromagnesate (pdb code 2wf5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Trifluoromagnesate, PDB code: 2wf5:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 2wf5

Go back to Fluorine Binding Sites List in 2wf5
Fluorine binding site 1 out of 3 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Trifluoromagnesate


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 Trifluoromagnesate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2832

b:8.5
occ:1.00
F1 A:MGF2832 0.0 8.5 1.0
MG A:MGF2832 1.9 10.3 1.0
MG A:MG2833 1.9 8.1 1.0
O2 A:BG61831 2.7 9.5 1.0
O A:HOH2170 2.7 8.7 1.0
OD2 A:ASP8 2.9 7.7 1.0
O1 A:BG61831 2.9 9.5 1.0
OD1 A:ASP8 2.9 8.0 1.0
O A:HOH2172 3.0 8.1 1.0
O A:ASP10 3.0 7.3 1.0
F2 A:MGF2832 3.0 9.4 1.0
F3 A:MGF2832 3.2 12.5 1.0
CG A:ASP8 3.3 6.9 1.0
CB A:ASP10 3.3 6.9 1.0
N A:ASP10 3.6 7.3 1.0
C2 A:BG61831 3.6 8.9 1.0
C1 A:BG61831 3.6 9.1 1.0
CA A:ASP10 3.7 6.9 1.0
C A:ASP10 3.7 7.0 1.0
OD2 A:ASP10 3.9 9.0 1.0
OD1 A:ASP170 4.0 7.5 1.0
CG A:ASP10 4.0 8.2 1.0
O A:HOH2200 4.3 9.4 1.0
N A:GLY46 4.4 9.4 1.0
CA A:GLY46 4.4 10.2 1.0
C A:LEU9 4.6 6.8 1.0
N A:LEU9 4.7 6.5 1.0
CB A:ASP8 4.8 6.7 1.0
O5 A:BG61831 4.9 9.9 1.0
CG A:ASP170 5.0 8.5 1.0
C3 A:BG61831 5.0 9.7 1.0
NZ A:LYS145 5.0 9.9 1.0

Fluorine binding site 2 out of 3 in 2wf5

Go back to Fluorine Binding Sites List in 2wf5
Fluorine binding site 2 out of 3 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Trifluoromagnesate


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 Trifluoromagnesate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2832

b:9.4
occ:1.00
F2 A:MGF2832 0.0 9.4 1.0
MG A:MGF2832 1.8 10.3 1.0
OG A:SER114 2.6 10.1 1.0
OD1 A:ASP8 2.8 8.0 1.0
O1 A:BG61831 2.8 9.5 1.0
N A:ASP10 2.8 7.3 1.0
N A:LEU9 2.9 6.5 1.0
F1 A:MGF2832 3.0 8.5 1.0
CB A:SER114 3.2 10.6 1.0
F3 A:MGF2832 3.3 12.5 1.0
CB A:LEU9 3.3 7.1 1.0
CA A:LEU9 3.3 6.5 1.0
OD2 A:ASP10 3.4 9.0 1.0
C A:LEU9 3.5 6.8 1.0
CG A:ASP8 3.6 6.9 1.0
CA A:SER114 3.6 10.7 1.0
CG A:ASP10 3.6 8.2 1.0
CB A:ASP10 3.8 6.9 1.0
CA A:ASP10 3.9 6.9 1.0
OD2 A:ASP8 4.0 7.7 1.0
C A:ASP8 4.1 6.6 1.0
C1 A:BG61831 4.2 9.1 1.0
N A:ALA115 4.3 11.9 1.0
OD1 A:ASP10 4.3 8.8 1.0
CA A:ASP8 4.5 6.6 1.0
C A:SER114 4.5 11.5 1.0
MG A:MG2833 4.5 8.1 1.0
O A:ASP10 4.6 7.3 1.0
CB A:ASP8 4.6 6.7 1.0
CG A:LEU9 4.7 7.6 1.0
O A:LEU9 4.7 6.9 1.0
C A:ASP10 4.8 7.0 1.0
CB A:SER116 4.8 9.8 1.0
N A:SER116 4.8 10.5 1.0
N A:SER114 4.8 10.5 1.0
O2 A:BG61831 4.9 9.5 1.0
O5 A:BG61831 4.9 9.9 1.0
C2 A:BG61831 4.9 8.9 1.0
NZ A:LYS145 5.0 9.9 1.0

Fluorine binding site 3 out of 3 in 2wf5

Go back to Fluorine Binding Sites List in 2wf5
Fluorine binding site 3 out of 3 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Trifluoromagnesate


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 Trifluoromagnesate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2832

b:12.5
occ:1.00
F3 A:MGF2832 0.0 12.5 1.0
MG A:MGF2832 1.8 10.3 1.0
NZ A:LYS145 2.6 9.9 1.0
OD1 A:ASP8 2.7 8.0 1.0
N A:ALA115 2.8 11.9 1.0
O1 A:BG61831 2.8 9.5 1.0
F1 A:MGF2832 3.2 8.5 1.0
F2 A:MGF2832 3.3 9.4 1.0
C1 A:BG61831 3.3 9.1 1.0
CB A:ALA115 3.4 13.5 1.0
CE A:LYS145 3.5 9.6 1.0
CA A:SER114 3.7 10.7 1.0
C A:SER114 3.7 11.5 1.0
CA A:ALA115 3.7 12.1 1.0
CG A:ASP8 3.9 6.9 1.0
O A:HOH2170 3.9 8.7 1.0
CD A:LYS145 4.0 10.3 1.0
OG A:SER114 4.1 10.1 1.0
CA A:GLY46 4.1 10.2 1.0
O2 A:BG61831 4.1 9.5 1.0
O A:GLY46 4.2 11.2 1.0
O5 A:BG61831 4.3 9.9 1.0
C2 A:BG61831 4.4 8.9 1.0
O A:ALA113 4.4 10.5 1.0
CB A:SER114 4.4 10.6 1.0
OE2 A:GLU169 4.5 12.6 1.0
OD2 A:ASP8 4.5 7.7 1.0
C A:GLY46 4.6 10.7 1.0
C A:ALA115 4.6 11.4 1.0
N A:SER116 4.6 10.5 1.0
MG A:MG2833 4.6 8.1 1.0
N A:SER114 4.8 10.5 1.0
O A:SER114 4.9 13.1 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: Sun Dec 13 11:40:59 2020

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