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Magnesium in PDB 4c4s: Structure of Beta-Phosphoglucomutase in Complex with An Alpha-Fluorophosphonate Analogue of Beta-Glucose-1-Phosphate and Magnesium Trifluoride

Enzymatic activity of Structure of Beta-Phosphoglucomutase in Complex with An Alpha-Fluorophosphonate Analogue of Beta-Glucose-1-Phosphate and Magnesium Trifluoride

All present enzymatic activity of Structure of Beta-Phosphoglucomutase in Complex with An Alpha-Fluorophosphonate Analogue of Beta-Glucose-1-Phosphate and Magnesium Trifluoride:
5.4.2.6;

Protein crystallography data

The structure of Structure of Beta-Phosphoglucomutase in Complex with An Alpha-Fluorophosphonate Analogue of Beta-Glucose-1-Phosphate and Magnesium Trifluoride, PDB code: 4c4s 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) 37.634 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.541, 54.337, 104.346, 90.00, 90.00, 90.00
R / Rfree (%) 17.25 / 19.84

Other elements in 4c4s:

The structure of Structure of Beta-Phosphoglucomutase in Complex with An Alpha-Fluorophosphonate Analogue of Beta-Glucose-1-Phosphate and Magnesium Trifluoride also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Beta-Phosphoglucomutase in Complex with An Alpha-Fluorophosphonate Analogue of Beta-Glucose-1-Phosphate and Magnesium Trifluoride (pdb code 4c4s). 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 in Complex with An Alpha-Fluorophosphonate Analogue of Beta-Glucose-1-Phosphate and Magnesium Trifluoride, PDB code: 4c4s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4c4s

Go back to Magnesium Binding Sites List in 4c4s
Magnesium binding site 1 out of 2 in the Structure of Beta-Phosphoglucomutase in Complex with An Alpha-Fluorophosphonate Analogue of Beta-Glucose-1-Phosphate and Magnesium Trifluoride


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 in Complex with An Alpha-Fluorophosphonate Analogue of Beta-Glucose-1-Phosphate and Magnesium Trifluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1220

b:7.4
occ:1.00
 MG A:MGF1220 0.0 7.4 1.0
F3 A:MGF1220 1.8 9.6 1.0
F1 A:MGF1220 1.8 8.1 1.0
F2 A:MGF1220 1.8 9.2 1.0
OD1 A:ASP8 2.0 8.5 1.0
O6 A:GRX1219 2.2 7.3 1.0
CG A:ASP8 3.0 6.7 1.0
C6 A:GRX1219 3.1 9.4 1.0
OD2 A:ASP8 3.4 7.1 1.0
MG A:MG2833 3.4 7.4 1.0
O A:HOH2009 3.7 8.3 1.0
OG A:SER114 3.7 9.1 1.0
N A:ASP10 3.8 6.0 1.0
OD2 A:ASP10 3.9 8.1 1.0
NZ A:LYS145 3.9 8.4 1.0
N A:LEU9 4.0 6.4 1.0
N A:ALA115 4.0 8.3 1.0
CB A:ASP10 4.1 8.2 1.0
CA A:SER114 4.3 7.0 1.0
CG A:ASP10 4.3 7.2 1.0
O A:ASP10 4.4 6.3 1.0
CB A:ASP8 4.4 8.0 1.0
CB A:SER114 4.4 8.5 1.0
C5 A:GRX1219 4.5 8.0 1.0
CA A:ASP10 4.5 6.7 1.0
CA A:GLY46 4.5 8.4 1.0
O A:HOH2011 4.7 7.1 1.0
C A:LEU9 4.7 6.6 1.0
C A:SER114 4.7 9.9 1.0
CB A:ALA115 4.7 8.3 1.0
CA A:ASP8 4.7 6.5 1.0
CA A:LEU9 4.8 7.1 1.0
C A:ASP8 4.9 7.4 1.0
O5 A:GRX1219 4.9 8.5 1.0
C A:ASP10 4.9 5.5 1.0
N A:GLY46 4.9 8.2 1.0
OE2 A:GLU169 5.0 11.8 1.0
CA A:ALA115 5.0 8.3 1.0

Magnesium binding site 2 out of 2 in 4c4s

Go back to Magnesium Binding Sites List in 4c4s
Magnesium binding site 2 out of 2 in the Structure of Beta-Phosphoglucomutase in Complex with An Alpha-Fluorophosphonate Analogue of Beta-Glucose-1-Phosphate and Magnesium Trifluoride


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 in Complex with An Alpha-Fluorophosphonate Analogue of Beta-Glucose-1-Phosphate and Magnesium Trifluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2833

b:7.4
occ:1.00
 F1 A:MGF1220 2.0 8.1 1.0
O A:HOH2011 2.0 7.1 1.0
OD2 A:ASP8 2.1 7.1 1.0
O A:HOH2009 2.1 8.3 1.0
OD1 A:ASP170 2.1 7.7 1.0
O A:ASP10 2.1 6.3 1.0
CG A:ASP170 3.0 8.9 1.0
CG A:ASP8 3.1 6.7 1.0
C A:ASP10 3.3 5.5 1.0
OD2 A:ASP170 3.3 8.5 1.0
OD1 A:ASP8 3.4 8.5 1.0
MG A:MGF1220 3.4 7.4 1.0
CA A:ASP10 4.0 6.7 1.0
CB A:ASP10 4.1 8.2 1.0
OE1 A:GLU169 4.1 10.3 1.0
N A:ASP10 4.1 6.0 1.0
N A:GLY11 4.3 6.2 1.0
CB A:ASP8 4.4 8.0 1.0
CB A:ASP170 4.4 8.6 1.0
O A:HOH2296 4.4 7.2 1.0
F2 A:MGF1220 4.5 9.2 1.0
N A:GLY46 4.6 8.2 1.0
N A:ASP170 4.6 6.8 1.0
CA A:GLY11 4.6 8.2 1.0
F3 A:MGF1220 4.6 9.6 1.0
O6 A:GRX1219 4.7 7.3 1.0
CB A:SER171 4.7 9.2 1.0
CD A:GLU169 4.8 9.9 1.0
C6 A:GRX1219 4.8 9.4 1.0
CA A:GLY46 4.8 8.4 1.0
CG2 A:VAL12 4.8 10.0 1.0
C A:LEU9 4.8 6.6 1.0
OE2 A:GLU169 4.9 11.8 1.0
OG A:SER171 4.9 10.6 1.0
CA A:ASP170 4.9 8.2 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: Thu Aug 15 16:42:08 2024

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