Magnesium in PDB 2wf6: 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;

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

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

Fluorine	(F)	4 atoms
Aluminium	(Al)	1 atom

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Aluminium Tetrafluoride, PDB code: 2wf6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Aluminium Tetrafluoride


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg 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:Mg1220 b:10.8 occ:1.00 OD1 A:ASP170 2.0 10.2 1.0 F4 A:ALF1219 2.0 9.7 1.0 OD2 A:ASP8 2.1 8.5 1.0 O A:HOH2210 2.1 10.2 1.0 O A:ASP10 2.1 9.1 1.0 O A:HOH2211 2.1 10.9 1.0 CG A:ASP170 3.0 10.9 1.0 CG A:ASP8 3.1 8.7 1.0 C A:ASP10 3.3 8.1 1.0 OD2 A:ASP170 3.4 11.0 1.0 OD1 A:ASP8 3.4 9.8 1.0 AL A:ALF1219 3.5 11.7 1.0 F3 A:ALF1219 3.7 10.8 1.0 O2 A:BG61221 3.8 10.4 1.0 CA A:ASP10 4.0 8.3 1.0 OE1 A:GLU169 4.0 11.9 1.0 N A:ASP10 4.0 8.9 1.0 CB A:ASP10 4.1 8.5 1.0 N A:GLY11 4.3 8.5 1.0 F2 A:ALF1219 4.3 10.5 1.0 CB A:ASP170 4.4 10.2 1.0 CB A:ASP8 4.4 9.2 1.0 N A:ASP170 4.5 10.0 1.0 CA A:GLY11 4.6 9.2 1.0 O1 A:BG61221 4.6 9.7 1.0 O A:HOH2250 4.6 11.4 1.0 CB A:SER171 4.8 11.3 1.0 C A:LEU9 4.8 8.9 1.0 CG2 A:VAL12 4.8 10.6 1.0 CD A:GLU169 4.8 10.6 1.0 CA A:ASP170 4.9 10.2 1.0 C A:GLY11 4.9 9.2 1.0 N A:SER171 4.9 10.6 1.0 C2 A:BG61221 5.0 9.4 1.0 OG A:SER171 5.0 11.9 1.0 N A:GLY46 5.0 11.3 1.0 OE2 A:GLU169 5.0 11.9 1.0

Magnesium binding site 2 out of 2 in the Structure of Beta-Phosphoglucomutase Inhibited with Glucose-6- Phosphate and Aluminium Tetrafluoride


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg 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:Mg2801 b:14.0 occ:0.70 O A:HOH2178 2.1 19.5 1.0 O A:HOH2176 2.1 20.5 1.0 O A:HOH2076 2.2 24.2 1.0 O A:HOH2180 4.0 32.1 1.0 CA A:GLY130 4.2 10.9 1.0 O A:HOH2170 4.2 24.9 1.0 O A:THR129 4.2 11.6 1.0 O A:HOH2177 4.2 17.0 1.0 C A:THR129 4.6 10.9 1.0 CG2 A:THR129 4.7 12.7 1.0 N A:GLY130 4.7 11.1 1.0 O A:PHE132 4.7 13.4 1.0

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