Magnesium in PDB 2fpu: Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Complex with Histidinol

All present enzymatic activity of Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Complex with Histidinol:
3.1.3.15;

The structure of Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Complex with Histidinol, PDB code: 2fpu was solved by E.S.Rangarajan, M.Cygler, A.Matte, Montreal-Kingston Bacterialstructural Genomics Initiative (Bsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	53.502, 132.664, 107.313, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.3

The structure of Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Complex with Histidinol also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Zinc	(Zn)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Complex with Histidinol (pdb code 2fpu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Complex with Histidinol, PDB code: 2fpu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Complex with Histidinol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Complex with Histidinol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg507 b:15.8 occ:1.00 OD2 A:ASP10 2.0 14.5 1.0 OD1 A:ASP131 2.1 12.8 1.0 O A:ASP12 2.1 14.1 1.0 O A:HOH639 2.2 14.4 1.0 O A:HOH512 2.2 13.9 1.0 O A:HOH523 2.3 17.8 1.0 CG A:ASP10 3.0 14.3 1.0 CG A:ASP131 3.2 14.7 1.0 C A:ASP12 3.3 14.3 1.0 OD1 A:ASP10 3.4 13.0 1.0 OD2 A:ASP131 3.5 15.6 1.0 OG1 A:THR14 4.1 10.9 1.0 CA A:ASP12 4.2 14.8 1.0 O A:HOH554 4.2 25.1 1.0 OD2 A:ASP135 4.3 16.7 1.0 N A:GLY13 4.3 14.5 1.0 N A:ASP12 4.3 13.9 1.0 CB A:ASP10 4.3 14.2 1.0 O A:HOH514 4.3 18.3 1.0 CB A:ASP12 4.4 14.8 1.0 CA A:GLY13 4.4 13.9 1.0 CL A:CL502 4.5 21.5 1.0 CG A:ARG132 4.5 17.1 1.0 CB A:ASP131 4.5 15.1 1.0 CD A:ARG132 4.5 17.7 1.0 NE A:ARG132 4.5 21.1 1.0 N A:ASP131 4.5 14.6 1.0 C A:GLY13 4.6 13.6 1.0 OE2 A:GLU18 4.7 23.4 1.0 N A:THR14 4.8 13.2 1.0 CA A:ASP131 5.0 15.3 1.0 N A:ARG132 5.0 16.6 1.0 C A:ARG11 5.0 14.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Complex with Histidinol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the N-Terminal Domain of E.Coli Hisb- Complex with Histidinol within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg508 b:12.6 occ:1.00 OD2 B:ASP10 2.0 9.8 1.0 O B:HOH791 2.0 14.9 1.0 O B:HOH793 2.1 17.1 1.0 O B:HOH609 2.1 17.5 1.0 OD1 B:ASP131 2.1 14.1 1.0 O B:ASP12 2.1 10.3 1.0 CG B:ASP10 3.1 11.4 1.0 CG B:ASP131 3.2 14.4 1.0 C B:ASP12 3.3 9.9 1.0 OD1 B:ASP10 3.4 9.6 1.0 OD2 B:ASP131 3.5 17.8 1.0 OG1 B:THR14 4.1 10.7 1.0 OD2 B:ASP135 4.1 15.4 1.0 N B:GLY13 4.2 10.0 1.0 CA B:ASP12 4.2 10.5 1.0 O B:HOH521 4.3 17.9 1.0 CA B:GLY13 4.3 10.8 1.0 NE B:ARG132 4.3 28.1 1.0 CB B:ASP10 4.3 11.2 1.0 N B:ASP12 4.4 10.1 1.0 CG B:ARG132 4.4 18.9 1.0 CB B:ASP12 4.4 10.2 1.0 N B:ASP131 4.5 13.4 1.0 CB B:ASP131 4.5 14.2 1.0 C B:GLY13 4.6 10.5 1.0 CD B:ARG132 4.6 20.0 1.0 OE2 B:GLU18 4.6 22.5 1.0 CL B:CL501 4.7 17.6 1.0 N B:THR14 4.8 10.7 1.0 OE1 B:GLU18 4.9 19.9 1.0 CA B:ASP131 4.9 14.4 1.0 CD B:GLU18 4.9 19.8 1.0 N B:ARG132 4.9 15.4 1.0

E.S.Rangarajan, A.Proteau, J.Wagner, M.N.Hung, A.Matte, M.Cygler. Structural Snapshots of Escherichia Coli Histidinol Phosphate Phosphatase Along the Reaction Pathway. J.Biol.Chem. V. 281 37930 2006.
ISSN: ISSN 0021-9258
PubMed: 16966333
DOI: 10.1074/JBC.M604916200